REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2cjq_1_A DATA FIRST_RESID 92 DATA SEQUENCE VIREHNKWIL KKVRHQGNLN TKKTLNPGKL SEQXXXXXXX XNIYNNQIGT DATA SEQUENCE IMTEAGIRLE KLPVVXXXTD TKSFHEAIRD KIDKNENQQS PGLHDKLLEI DATA SEQUENCE FHTIAQPSLR HTYSDVTWEQ LEAGVNRKGA AGFLEKKNVG EVLDSEKHLV DATA SEQUENCE EQLIRDLKTG RKIRYYETAI PKNXXXXXXX XXXXXXXXXX XXPRVIQYPE DATA SEQUENCE AKTRLAITKV MYNWVKQQPV VIPGYEGKTP LFNIFNKVRK EWDLFNEPVA DATA SEQUENCE VSFDTKNWDT QVTSRDLRLI GEIQKYYYRK EWHKFIDTIT DHMVEVPVIT DATA SEQUENCE ADGEVYIRNG QRGSGQPDTS AGNSMLNVLT MMYAFCESTG VPYKSFNRVA DATA SEQUENCE RIHVCGDDGF LITEKGLGLK FANNGMQILH EAGKPQKITE GERMKVAYRF DATA SEQUENCE EDIEFCSHTP VPVRWSDNTS SYMAGRDTAV ILSKMATRLX XXXXXGTIAY DATA SEQUENCE EKAVAFSFLL MYSWNPLVRR ICLLVLSQQP ETTPSTQTTY YYKGDPIGAY DATA SEQUENCE KDVIGKNLCE LKRTGFEKLA NLNLSLSTLG IWSKHTSKRI IQDCVTIGKE DATA SEQUENCE EGNWLVNADR LISSKTGHLY IPDKGYTLQG K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 92 V HA 0.000 nan 4.120 nan 0.000 0.244 92 V C 0.000 176.065 176.094 -0.049 0.000 1.182 92 V CA 0.000 62.276 62.300 -0.040 0.000 1.235 92 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 93 I N 0.489 121.023 120.570 -0.060 0.000 3.078 93 I HA 0.467 4.906 4.170 0.448 0.000 0.318 93 I C 0.525 176.586 176.117 -0.094 0.000 1.016 93 I CA -0.724 60.532 61.300 -0.073 0.000 1.130 93 I CB 0.921 38.869 38.000 -0.086 0.000 1.397 93 I HN 0.490 nan 8.210 nan 0.000 0.570 94 R N 1.818 122.239 120.500 -0.133 0.000 2.543 94 R HA 0.041 4.650 4.340 0.448 0.000 0.277 94 R C 0.947 177.099 176.300 -0.248 0.000 1.074 94 R CA -0.496 55.467 56.100 -0.228 0.000 1.076 94 R CB 0.695 30.776 30.300 -0.364 0.000 0.993 94 R HN 0.534 nan 8.270 nan 0.000 0.459 95 E N 2.308 122.383 120.200 -0.208 0.000 2.108 95 E HA -0.243 4.376 4.350 0.448 0.000 0.203 95 E C 1.630 178.228 176.600 -0.004 0.000 1.022 95 E CA 1.773 58.120 56.400 -0.089 0.000 0.823 95 E CB -0.196 29.484 29.700 -0.034 0.000 0.744 95 E HN 0.676 nan 8.360 nan 0.000 0.456 96 H N -1.388 117.760 119.070 0.130 0.000 2.563 96 H HA 0.134 4.960 4.556 0.450 0.000 0.272 96 H C 0.901 176.448 175.328 0.366 0.000 1.005 96 H CA 0.452 56.637 56.048 0.230 0.000 1.171 96 H CB 0.104 29.998 29.762 0.220 0.000 1.351 96 H HN 0.032 nan 8.280 nan 0.000 0.602 97 N N 1.103 119.931 118.700 0.213 0.000 2.282 97 N HA 0.010 5.019 4.740 0.448 0.000 0.185 97 N C 1.241 176.658 175.510 -0.155 0.000 1.099 97 N CA 0.036 53.164 53.050 0.130 0.000 0.878 97 N CB 0.372 38.875 38.487 0.026 0.000 0.993 97 N HN 0.405 nan 8.380 nan 0.000 0.481 98 K N 0.879 121.254 120.400 -0.041 0.000 2.362 98 K HA -0.065 4.524 4.320 0.448 0.000 0.200 98 K C 1.785 178.331 176.600 -0.091 0.000 1.046 98 K CA 0.568 56.802 56.287 -0.087 0.000 0.952 98 K CB -0.100 32.390 32.500 -0.016 0.000 0.753 98 K HN 0.423 nan 8.250 nan 0.000 0.466 99 W N 0.484 121.793 121.300 0.014 0.000 2.387 99 W HA -0.155 4.776 4.660 0.451 0.000 0.272 99 W C 1.199 177.703 176.519 -0.025 0.000 1.224 99 W CA 0.331 57.678 57.345 0.003 0.000 1.210 99 W CB -0.536 28.933 29.460 0.016 0.000 1.125 99 W HN -0.025 nan 8.180 nan 0.000 0.572 100 I N 1.541 121.487 120.570 -1.040 0.000 2.716 100 I HA -0.126 4.312 4.170 0.448 0.000 0.259 100 I C 2.276 178.141 176.117 -0.419 0.000 1.172 100 I CA 0.698 61.404 61.300 -0.991 0.000 1.478 100 I CB -0.432 36.789 38.000 -1.299 0.000 1.104 100 I HN -0.011 nan 8.210 nan 0.000 0.439 101 L N 0.432 121.473 121.223 -0.302 0.000 2.141 101 L HA -0.162 4.447 4.340 0.448 0.000 0.209 101 L C 1.871 178.685 176.870 -0.093 0.000 1.094 101 L CA 1.038 55.778 54.840 -0.167 0.000 0.763 101 L CB -0.501 41.482 42.059 -0.127 0.000 0.908 101 L HN 0.054 nan 8.230 nan 0.000 0.437 102 K N 0.160 120.525 120.400 -0.058 0.000 2.611 102 K HA -0.112 4.477 4.320 0.448 0.000 0.193 102 K C 1.365 177.967 176.600 0.004 0.000 1.026 102 K CA 0.490 56.773 56.287 -0.005 0.000 1.063 102 K CB 0.054 32.578 32.500 0.040 0.000 0.839 102 K HN 0.144 nan 8.250 nan 0.000 0.505 103 K N 0.231 120.615 120.400 -0.027 0.000 2.517 103 K HA 0.096 4.685 4.320 0.448 0.000 0.210 103 K C -0.611 175.985 176.600 -0.007 0.000 1.166 103 K CA -0.029 56.257 56.287 -0.002 0.000 1.030 103 K CB 1.123 33.630 32.500 0.010 0.000 0.974 103 K HN -0.166 nan 8.250 nan 0.000 0.585 104 V N 3.708 123.603 119.914 -0.032 0.000 2.390 104 V HA 0.079 4.467 4.120 0.448 0.000 0.260 104 V C 1.096 177.201 176.094 0.018 0.000 1.043 104 V CA 0.080 62.373 62.300 -0.012 0.000 1.047 104 V CB 0.733 32.534 31.823 -0.037 0.000 1.066 104 V HN 0.270 nan 8.190 nan 0.000 0.481 105 R N 2.224 122.772 120.500 0.079 0.000 2.161 105 R HA 0.127 4.736 4.340 0.448 0.000 0.213 105 R C 0.364 176.612 176.300 -0.087 0.000 1.055 105 R CA 0.707 56.836 56.100 0.048 0.000 0.996 105 R CB 0.061 30.457 30.300 0.161 0.000 0.901 105 R HN 0.727 nan 8.270 nan 0.000 0.456 106 H N -1.267 117.804 119.070 0.002 0.000 3.024 106 H HA 0.316 5.141 4.556 0.448 0.000 0.305 106 H C -0.528 174.796 175.328 -0.006 0.000 1.506 106 H CA -0.686 55.364 56.048 0.003 0.000 1.324 106 H CB 0.722 30.493 29.762 0.014 0.000 1.925 106 H HN -0.205 nan 8.280 nan 0.000 0.661 107 Q N 0.448 120.337 119.800 0.149 0.000 2.230 107 Q HA 0.387 4.996 4.340 0.448 0.000 0.253 107 Q C -0.100 175.931 176.000 0.051 0.000 0.919 107 Q CA -1.086 54.757 55.803 0.066 0.000 0.908 107 Q CB 1.054 29.819 28.738 0.044 0.000 1.245 107 Q HN 0.919 nan 8.270 nan 0.000 0.437 108 G N 3.153 111.963 108.800 0.018 0.000 2.148 108 G HA2 -0.192 4.037 3.960 0.448 0.000 0.275 108 G HA3 -0.192 4.037 3.960 0.448 0.000 0.275 108 G C 0.295 175.195 174.900 -0.001 0.000 0.979 108 G CA 0.150 45.249 45.100 -0.002 0.000 1.154 108 G HN 0.858 nan 8.290 nan 0.000 0.377 109 N N 1.480 120.183 118.700 0.005 0.000 2.424 109 N HA 0.033 5.042 4.740 0.448 0.000 0.178 109 N C 1.264 176.771 175.510 -0.006 0.000 1.060 109 N CA -0.300 52.761 53.050 0.019 0.000 0.901 109 N CB 0.023 38.541 38.487 0.051 0.000 0.979 109 N HN 0.450 nan 8.380 nan 0.000 0.451 110 L N 0.166 121.342 121.223 -0.079 0.000 2.553 110 L HA 0.288 4.897 4.340 0.448 0.000 0.185 110 L C 0.250 177.055 176.870 -0.110 0.000 1.137 110 L CA 0.419 55.153 54.840 -0.177 0.000 0.919 110 L CB 0.144 42.025 42.059 -0.297 0.000 1.560 110 L HN 0.121 nan 8.230 nan 0.000 0.515 111 N N -0.506 118.112 118.700 -0.137 0.000 2.635 111 N HA 0.063 5.072 4.740 0.448 0.000 0.252 111 N C -1.202 174.242 175.510 -0.109 0.000 1.589 111 N CA 0.059 53.053 53.050 -0.094 0.000 0.828 111 N CB 0.355 38.806 38.487 -0.061 0.000 1.403 111 N HN 0.769 nan 8.380 nan 0.000 0.518 112 T N -1.526 112.952 114.554 -0.128 0.000 2.899 112 T HA 0.347 4.966 4.350 0.448 0.000 0.295 112 T C 0.992 175.642 174.700 -0.084 0.000 1.033 112 T CA -0.076 61.947 62.100 -0.129 0.000 1.084 112 T CB 1.984 70.763 68.868 -0.147 0.000 0.979 112 T HN 0.092 nan 8.240 nan 0.000 0.532 113 K N 0.283 120.638 120.400 -0.075 0.000 2.438 113 K HA 0.224 4.813 4.320 0.448 0.000 0.206 113 K C 1.190 177.763 176.600 -0.045 0.000 1.081 113 K CA -0.121 56.134 56.287 -0.053 0.000 1.053 113 K CB 0.587 33.059 32.500 -0.046 0.000 0.908 113 K HN 0.559 nan 8.250 nan 0.000 0.556 114 K N 0.231 120.600 120.400 -0.051 0.000 2.556 114 K HA 0.034 4.623 4.320 0.448 0.000 0.201 114 K C 0.462 177.042 176.600 -0.032 0.000 1.423 114 K CA 0.349 56.612 56.287 -0.039 0.000 1.010 114 K CB 1.183 33.659 32.500 -0.039 0.000 1.409 114 K HN 0.046 nan 8.250 nan 0.000 0.538 115 T N -0.211 114.320 114.554 -0.037 0.000 2.907 115 T HA 0.361 4.980 4.350 0.448 0.000 0.284 115 T C 0.155 174.851 174.700 -0.005 0.000 1.004 115 T CA -0.829 61.267 62.100 -0.006 0.000 1.063 115 T CB 1.002 69.885 68.868 0.025 0.000 0.992 115 T HN -0.145 nan 8.240 nan 0.000 0.483 116 L N 2.784 124.011 121.223 0.008 0.000 2.455 116 L HA 0.246 4.855 4.340 0.448 0.000 0.272 116 L C 0.456 177.333 176.870 0.011 0.000 1.174 116 L CA 0.234 55.071 54.840 -0.005 0.000 0.869 116 L CB 0.459 42.507 42.059 -0.019 0.000 1.130 116 L HN 0.910 nan 8.230 nan 0.000 0.474 117 N N 5.423 124.116 118.700 -0.012 0.000 2.918 117 N HA 0.246 5.255 4.740 0.448 0.000 0.270 117 N C -1.290 174.202 175.510 -0.029 0.000 1.536 117 N CA -1.421 51.623 53.050 -0.011 0.000 0.877 117 N CB 0.770 39.235 38.487 -0.037 0.000 1.190 117 N HN 0.267 nan 8.380 nan 0.000 0.492 118 P HA -0.003 nan 4.420 nan 0.000 0.218 118 P C 0.438 177.714 177.300 -0.040 0.000 1.152 118 P CA 1.319 64.388 63.100 -0.051 0.000 0.857 118 P CB 0.241 31.892 31.700 -0.082 0.000 0.787 119 G N -1.605 107.173 108.800 -0.037 0.000 2.359 119 G HA2 0.197 4.426 3.960 0.448 0.000 0.293 119 G HA3 0.197 4.426 3.960 0.448 0.000 0.293 119 G C -1.947 172.947 174.900 -0.011 0.000 1.300 119 G CA -0.722 44.371 45.100 -0.012 0.000 0.888 119 G HN 0.270 nan 8.290 nan 0.000 0.541 120 K N -0.439 119.981 120.400 0.032 0.000 2.095 120 K HA 0.799 5.388 4.320 0.448 0.000 0.252 120 K C -0.154 176.486 176.600 0.067 0.000 0.977 120 K CA -0.741 55.559 56.287 0.022 0.000 0.900 120 K CB 0.935 33.438 32.500 0.006 0.000 1.060 120 K HN 0.459 nan 8.250 nan 0.000 0.449 121 L N 0.734 121.980 121.223 0.039 0.000 2.299 121 L HA 0.389 4.998 4.340 0.448 0.000 0.268 121 L C 0.132 177.084 176.870 0.137 0.000 1.012 121 L CA -1.184 53.718 54.840 0.104 0.000 0.816 121 L CB 1.773 43.882 42.059 0.083 0.000 1.355 121 L HN 0.655 nan 8.230 nan 0.000 0.457 122 S N 0.106 115.915 115.700 0.182 0.000 2.601 122 S HA 0.275 5.014 4.470 0.448 0.000 0.271 122 S C -0.422 174.287 174.600 0.181 0.000 1.305 122 S CA -0.584 57.708 58.200 0.154 0.000 1.022 122 S CB 1.375 64.665 63.200 0.150 0.000 0.940 122 S HN 0.491 nan 8.310 nan 0.000 0.525 123 E N 1.246 121.523 120.200 0.129 0.000 2.256 123 E HA 0.313 4.932 4.350 0.448 0.000 0.268 123 E C -1.023 175.600 176.600 0.037 0.000 0.877 123 E CA -0.592 55.896 56.400 0.146 0.000 0.757 123 E CB 1.845 31.669 29.700 0.205 0.000 1.183 123 E HN 0.571 nan 8.360 nan 0.000 0.418 134 I N -0.195 120.403 120.570 0.047 0.000 3.217 134 I HA 0.431 4.870 4.170 0.448 0.000 0.308 134 I C -0.356 175.911 176.117 0.249 0.000 1.091 134 I CA -0.996 60.326 61.300 0.037 0.000 1.013 134 I CB 1.487 39.502 38.000 0.026 0.000 1.250 134 I HN -0.046 nan 8.210 nan 0.000 0.496 135 Y N 0.784 121.094 120.300 0.017 0.000 2.446 135 Y HA 0.295 5.114 4.550 0.448 0.000 0.338 135 Y C -0.016 175.903 175.900 0.033 0.000 1.055 135 Y CA -1.040 57.072 58.100 0.020 0.000 1.101 135 Y CB 1.595 40.061 38.460 0.009 0.000 1.221 135 Y HN 0.448 nan 8.280 nan 0.000 0.460 136 N N 2.776 121.565 118.700 0.149 0.000 2.663 136 N HA 0.010 5.019 4.740 0.448 0.000 0.250 136 N C 0.735 176.285 175.510 0.066 0.000 1.129 136 N CA -0.174 52.938 53.050 0.103 0.000 0.995 136 N CB 0.152 38.664 38.487 0.042 0.000 1.324 136 N HN 0.686 nan 8.380 nan 0.000 0.512 137 N N 1.435 120.193 118.700 0.098 0.000 2.064 137 N HA -0.305 4.704 4.740 0.448 0.000 0.200 137 N C 1.354 176.885 175.510 0.036 0.000 1.028 137 N CA 1.484 54.580 53.050 0.076 0.000 0.880 137 N CB 0.181 38.710 38.487 0.069 0.000 1.062 137 N HN 0.522 nan 8.380 nan 0.000 0.454 138 Q N 0.284 120.102 119.800 0.029 0.000 2.170 138 Q HA -0.080 4.529 4.340 0.448 0.000 0.203 138 Q C 2.130 178.120 176.000 -0.017 0.000 0.976 138 Q CA 0.909 56.718 55.803 0.009 0.000 0.858 138 Q CB -0.107 28.639 28.738 0.013 0.000 0.907 138 Q HN 0.609 nan 8.270 nan 0.000 0.433 139 I N -0.609 119.940 120.570 -0.035 0.000 2.277 139 I HA -0.103 4.335 4.170 0.448 0.000 0.243 139 I C 2.269 178.325 176.117 -0.102 0.000 1.094 139 I CA 1.014 62.266 61.300 -0.081 0.000 1.393 139 I CB -0.576 37.350 38.000 -0.122 0.000 1.078 139 I HN 0.162 nan 8.210 nan 0.000 0.417 140 G N 0.223 108.955 108.800 -0.113 0.000 2.432 140 G HA2 -0.191 4.038 3.960 0.448 0.000 0.219 140 G HA3 -0.191 4.038 3.960 0.448 0.000 0.219 140 G C 1.650 176.509 174.900 -0.068 0.000 1.135 140 G CA 1.262 46.272 45.100 -0.151 0.000 0.767 140 G HN 0.256 nan 8.290 nan 0.000 0.550 141 T N 1.248 115.785 114.554 -0.028 0.000 2.737 141 T HA -0.010 4.609 4.350 0.448 0.000 0.265 141 T C 2.394 177.086 174.700 -0.014 0.000 1.038 141 T CA 0.812 62.908 62.100 -0.006 0.000 1.144 141 T CB -0.150 68.722 68.868 0.006 0.000 0.866 141 T HN 0.243 nan 8.240 nan 0.000 0.434 142 I N 0.646 121.202 120.570 -0.024 0.000 2.264 142 I HA -0.209 4.230 4.170 0.448 0.000 0.248 142 I C 2.566 178.669 176.117 -0.023 0.000 1.111 142 I CA 1.339 62.626 61.300 -0.022 0.000 1.382 142 I CB -0.364 37.618 38.000 -0.030 0.000 1.060 142 I HN 0.268 nan 8.210 nan 0.000 0.418 143 M N -0.073 119.502 119.600 -0.042 0.000 2.086 143 M HA -0.204 4.545 4.480 0.448 0.000 0.261 143 M C 2.412 178.703 176.300 -0.015 0.000 1.067 143 M CA 2.071 57.346 55.300 -0.041 0.000 1.116 143 M CB -0.382 32.166 32.600 -0.086 0.000 1.348 143 M HN 0.224 nan 8.290 nan 0.000 0.407 144 T N 0.123 114.668 114.554 -0.016 0.000 2.708 144 T HA -0.173 4.446 4.350 0.448 0.000 0.266 144 T C 1.482 176.190 174.700 0.013 0.000 1.037 144 T CA 1.568 63.671 62.100 0.005 0.000 1.146 144 T CB -0.355 68.520 68.868 0.012 0.000 0.865 144 T HN 0.472 nan 8.240 nan 0.000 0.435 145 E N 0.996 121.201 120.200 0.008 0.000 2.160 145 E HA -0.075 4.544 4.350 0.448 0.000 0.195 145 E C 2.398 179.005 176.600 0.012 0.000 0.991 145 E CA 0.920 57.325 56.400 0.009 0.000 0.810 145 E CB -0.180 29.523 29.700 0.005 0.000 0.742 145 E HN 0.480 nan 8.360 nan 0.000 0.466 146 A N 0.225 123.055 122.820 0.016 0.000 2.066 146 A HA 0.114 4.703 4.320 0.448 0.000 0.218 146 A C 1.844 179.456 177.584 0.046 0.000 1.157 146 A CA 1.216 53.271 52.037 0.029 0.000 0.670 146 A CB -0.131 18.890 19.000 0.034 0.000 0.804 146 A HN 0.370 nan 8.150 nan 0.000 0.453 147 G N -1.600 107.228 108.800 0.046 0.000 2.148 147 G HA2 -0.119 4.110 3.960 0.448 0.000 0.157 147 G HA3 -0.119 4.110 3.960 0.448 0.000 0.157 147 G C -0.003 174.948 174.900 0.086 0.000 1.012 147 G CA -0.061 45.075 45.100 0.060 0.000 0.677 147 G HN 0.363 nan 8.290 nan 0.000 0.506 148 I N 0.292 120.904 120.570 0.071 0.000 2.499 148 I HA 0.472 4.911 4.170 0.448 0.000 0.296 148 I C 0.811 176.952 176.117 0.039 0.000 0.992 148 I CA -0.697 60.644 61.300 0.068 0.000 1.297 148 I CB 1.193 39.210 38.000 0.027 0.000 1.410 148 I HN -0.044 nan 8.210 nan 0.000 0.507 149 R N 5.318 125.840 120.500 0.038 0.000 2.332 149 R HA 0.278 4.887 4.340 0.448 0.000 0.306 149 R C 0.629 176.937 176.300 0.014 0.000 1.117 149 R CA -0.585 55.534 56.100 0.032 0.000 1.108 149 R CB 0.736 31.063 30.300 0.044 0.000 1.126 149 R HN 0.557 nan 8.270 nan 0.000 0.548 150 L N 1.879 123.105 121.223 0.005 0.000 2.137 150 L HA -0.242 4.367 4.340 0.448 0.000 0.213 150 L C 1.416 178.322 176.870 0.059 0.000 1.085 150 L CA 1.950 56.784 54.840 -0.010 0.000 0.760 150 L CB -0.854 41.195 42.059 -0.018 0.000 0.893 150 L HN 0.562 nan 8.230 nan 0.000 0.434 151 E N -0.158 120.088 120.200 0.077 0.000 2.152 151 E HA -0.136 4.483 4.350 0.448 0.000 0.192 151 E C 1.948 178.576 176.600 0.046 0.000 0.983 151 E CA 0.549 56.995 56.400 0.076 0.000 0.818 151 E CB -0.223 29.514 29.700 0.062 0.000 0.758 151 E HN 0.308 nan 8.360 nan 0.000 0.467 152 K N 0.524 120.942 120.400 0.029 0.000 2.365 152 K HA 0.057 4.646 4.320 0.448 0.000 0.199 152 K C 0.517 177.114 176.600 -0.005 0.000 1.045 152 K CA 0.258 56.554 56.287 0.014 0.000 0.962 152 K CB -0.140 32.369 32.500 0.016 0.000 0.759 152 K HN 0.239 nan 8.250 nan 0.000 0.469 153 L N 3.512 124.729 121.223 -0.010 0.000 2.439 153 L HA 0.098 4.707 4.340 0.448 0.000 0.269 153 L C -1.864 175.000 176.870 -0.010 0.000 1.179 153 L CA -1.697 53.124 54.840 -0.031 0.000 0.828 153 L CB 0.135 42.164 42.059 -0.050 0.000 1.106 153 L HN -0.054 nan 8.230 nan 0.000 0.467 154 P HA 0.192 nan 4.420 nan 0.000 0.276 154 P C -1.097 176.209 177.300 0.011 0.000 1.235 154 P CA -0.128 62.968 63.100 -0.006 0.000 0.772 154 P CB 1.346 33.034 31.700 -0.020 0.000 0.871 155 V N 1.620 121.548 119.914 0.023 0.000 2.971 155 V HA 0.558 4.946 4.120 0.448 0.000 0.309 155 V C 0.386 176.499 176.094 0.031 0.000 1.130 155 V CA -1.142 61.180 62.300 0.036 0.000 0.964 155 V CB 1.317 33.172 31.823 0.054 0.000 1.029 155 V HN 0.460 nan 8.190 nan 0.000 0.427 161 D N 1.248 121.653 120.400 0.009 0.000 2.251 161 D HA 0.103 5.012 4.640 0.448 0.000 0.210 161 D C 0.548 176.870 176.300 0.035 0.000 1.304 161 D CA -0.292 53.720 54.000 0.020 0.000 0.912 161 D CB 1.247 42.069 40.800 0.037 0.000 1.553 161 D HN 0.487 nan 8.370 nan 0.000 0.526 162 T N 2.598 117.141 114.554 -0.018 0.000 3.118 162 T HA -0.120 4.499 4.350 0.448 0.000 0.269 162 T C 1.313 175.916 174.700 -0.163 0.000 1.166 162 T CA 1.140 63.193 62.100 -0.079 0.000 1.073 162 T CB 0.264 69.062 68.868 -0.117 0.000 0.884 162 T HN 0.379 nan 8.240 nan 0.000 0.550 163 K N -0.110 120.265 120.400 -0.043 0.000 2.424 163 K HA 0.261 4.850 4.320 0.448 0.000 0.198 163 K C 2.364 178.991 176.600 0.046 0.000 1.190 163 K CA 0.183 56.457 56.287 -0.022 0.000 0.935 163 K CB 0.034 32.529 32.500 -0.009 0.000 1.087 163 K HN 0.062 nan 8.250 nan 0.000 0.524 164 S N 0.174 115.918 115.700 0.073 0.000 2.446 164 S HA -0.005 4.734 4.470 0.448 0.000 0.225 164 S C 1.553 176.242 174.600 0.149 0.000 1.016 164 S CA 0.333 58.587 58.200 0.089 0.000 0.943 164 S CB -0.167 63.081 63.200 0.080 0.000 0.786 164 S HN 0.312 nan 8.310 nan 0.000 0.508 165 F N 2.317 122.281 119.950 0.025 0.000 2.098 165 F HA 0.073 4.869 4.527 0.448 0.000 0.294 165 F C 2.074 177.953 175.800 0.132 0.000 1.107 165 F CA 1.901 59.940 58.000 0.065 0.000 1.234 165 F CB -1.044 37.990 39.000 0.057 0.000 1.002 165 F HN 0.351 nan 8.300 nan 0.000 0.472 166 H N -0.455 118.544 119.070 -0.119 0.000 2.492 166 H HA -0.155 4.669 4.556 0.448 0.000 0.296 166 H C 2.004 177.197 175.328 -0.226 0.000 1.095 166 H CA 1.126 57.021 56.048 -0.254 0.000 1.281 166 H CB 0.050 29.762 29.762 -0.083 0.000 1.374 166 H HN 0.492 nan 8.280 nan 0.000 0.545 167 E N 0.464 120.660 120.200 -0.007 0.000 2.028 167 E HA -0.122 4.497 4.350 0.448 0.000 0.190 167 E C 2.564 179.112 176.600 -0.087 0.000 0.984 167 E CA 0.616 56.995 56.400 -0.035 0.000 0.800 167 E CB -0.009 29.694 29.700 0.005 0.000 0.758 167 E HN 0.423 nan 8.360 nan 0.000 0.448 168 A N 1.438 124.204 122.820 -0.089 0.000 1.892 168 A HA -0.239 4.350 4.320 0.448 0.000 0.218 168 A C 2.182 179.663 177.584 -0.172 0.000 1.188 168 A CA 1.448 53.431 52.037 -0.091 0.000 0.631 168 A CB -0.840 18.138 19.000 -0.036 0.000 0.822 168 A HN 0.181 nan 8.150 nan 0.000 0.447 169 I N -0.886 119.491 120.570 -0.321 0.000 2.118 169 I HA -0.328 4.111 4.170 0.448 0.000 0.241 169 I C 2.743 178.671 176.117 -0.315 0.000 1.070 169 I CA 1.887 62.947 61.300 -0.399 0.000 1.327 169 I CB -0.438 37.188 38.000 -0.622 0.000 1.034 169 I HN 0.316 nan 8.210 nan 0.000 0.405 170 R N 0.284 120.624 120.500 -0.266 0.000 2.189 170 R HA -0.153 4.456 4.340 0.448 0.000 0.223 170 R C 1.584 177.807 176.300 -0.129 0.000 1.092 170 R CA 1.358 57.341 56.100 -0.195 0.000 0.989 170 R CB -0.302 29.906 30.300 -0.154 0.000 0.876 170 R HN 0.387 nan 8.270 nan 0.000 0.457 171 D N -0.130 120.206 120.400 -0.106 0.000 2.216 171 D HA -0.006 4.903 4.640 0.448 0.000 0.208 171 D C 1.464 177.732 176.300 -0.053 0.000 0.960 171 D CA 1.084 55.045 54.000 -0.064 0.000 0.861 171 D CB 0.383 41.158 40.800 -0.041 0.000 0.985 171 D HN 0.075 nan 8.370 nan 0.000 0.493 172 K N -0.819 119.543 120.400 -0.062 0.000 2.367 172 K HA 0.288 4.877 4.320 0.448 0.000 0.198 172 K C 1.811 178.384 176.600 -0.046 0.000 1.132 172 K CA 0.073 56.338 56.287 -0.036 0.000 0.941 172 K CB 0.846 33.342 32.500 -0.007 0.000 1.052 172 K HN 0.022 nan 8.250 nan 0.000 0.507 173 I N 1.339 121.859 120.570 -0.084 0.000 2.584 173 I HA -0.087 4.352 4.170 0.448 0.000 0.255 173 I C 0.628 176.686 176.117 -0.099 0.000 1.145 173 I CA 0.452 61.706 61.300 -0.076 0.000 1.462 173 I CB 0.038 37.975 38.000 -0.104 0.000 1.102 173 I HN 0.062 nan 8.210 nan 0.000 0.433 174 D N 3.742 124.052 120.400 -0.150 0.000 2.429 174 D HA 0.077 4.986 4.640 0.448 0.000 0.253 174 D C -0.163 176.091 176.300 -0.077 0.000 1.294 174 D CA 0.362 54.282 54.000 -0.133 0.000 1.063 174 D CB -0.216 40.489 40.800 -0.159 0.000 1.096 174 D HN 0.409 nan 8.370 nan 0.000 0.516 175 K N 1.042 121.411 120.400 -0.052 0.000 2.617 175 K HA 0.416 5.005 4.320 0.448 0.000 0.293 175 K C -0.776 175.807 176.600 -0.029 0.000 1.034 175 K CA -1.086 55.178 56.287 -0.038 0.000 0.884 175 K CB 0.727 33.206 32.500 -0.035 0.000 1.541 175 K HN -0.107 nan 8.250 nan 0.000 0.409 176 N N 0.872 119.555 118.700 -0.029 0.000 2.463 176 N HA 0.130 5.139 4.740 0.448 0.000 0.270 176 N C -0.766 174.725 175.510 -0.033 0.000 1.205 176 N CA -0.456 52.578 53.050 -0.027 0.000 0.974 176 N CB 0.931 39.402 38.487 -0.027 0.000 1.197 176 N HN 0.502 nan 8.380 nan 0.000 0.504 177 E N 0.787 120.967 120.200 -0.033 0.000 2.392 177 E HA 0.045 4.664 4.350 0.448 0.000 0.264 177 E C -0.165 176.403 176.600 -0.053 0.000 1.024 177 E CA -0.207 56.167 56.400 -0.043 0.000 0.903 177 E CB 0.615 30.292 29.700 -0.040 0.000 0.963 177 E HN 0.320 nan 8.360 nan 0.000 0.432 178 N N 2.467 121.124 118.700 -0.071 0.000 2.395 178 N HA -0.055 4.954 4.740 0.448 0.000 0.246 178 N C -0.541 174.925 175.510 -0.073 0.000 1.246 178 N CA 0.388 53.385 53.050 -0.089 0.000 0.879 178 N CB 0.531 38.944 38.487 -0.123 0.000 1.098 178 N HN 0.333 nan 8.380 nan 0.000 0.444 179 Q N 1.366 121.118 119.800 -0.081 0.000 2.261 179 Q HA 0.303 4.912 4.340 0.448 0.000 0.252 179 Q C -0.439 175.521 176.000 -0.066 0.000 0.915 179 Q CA 0.012 55.780 55.803 -0.057 0.000 0.915 179 Q CB 1.047 29.755 28.738 -0.049 0.000 1.204 179 Q HN 0.337 nan 8.270 nan 0.000 0.421 180 Q N 0.782 120.561 119.800 -0.036 0.000 2.356 180 Q HA 0.420 5.029 4.340 0.448 0.000 0.270 180 Q C -0.888 175.095 176.000 -0.028 0.000 1.058 180 Q CA -0.731 55.047 55.803 -0.042 0.000 0.802 180 Q CB 2.173 30.907 28.738 -0.008 0.000 1.303 180 Q HN 0.626 nan 8.270 nan 0.000 0.444 181 S N 3.486 119.162 115.700 -0.041 0.000 2.626 181 S HA 0.021 4.760 4.470 0.448 0.000 0.303 181 S C -2.213 172.377 174.600 -0.015 0.000 1.256 181 S CA -0.621 57.571 58.200 -0.014 0.000 1.069 181 S CB -0.426 62.777 63.200 0.005 0.000 0.807 181 S HN 0.357 nan 8.310 nan 0.000 0.500 182 P HA 0.175 nan 4.420 nan 0.000 0.266 182 P C 1.074 178.386 177.300 0.019 0.000 1.195 182 P CA 0.862 63.975 63.100 0.021 0.000 0.768 182 P CB 0.211 31.925 31.700 0.024 0.000 0.838 183 G N 2.144 110.962 108.800 0.030 0.000 2.168 183 G HA2 -0.311 3.918 3.960 0.448 0.000 0.263 183 G HA3 -0.311 3.918 3.960 0.448 0.000 0.263 183 G C 0.806 175.694 174.900 -0.021 0.000 0.977 183 G CA 0.231 45.348 45.100 0.029 0.000 0.659 183 G HN 0.579 nan 8.290 nan 0.000 0.533 184 L N 0.251 121.410 121.223 -0.107 0.000 2.046 184 L HA -0.087 4.522 4.340 0.448 0.000 0.208 184 L C 2.494 179.111 176.870 -0.422 0.000 1.077 184 L CA 2.729 57.367 54.840 -0.337 0.000 0.747 184 L CB -0.745 41.035 42.059 -0.465 0.000 0.896 184 L HN 0.535 nan 8.230 nan 0.000 0.432 185 H N -0.413 118.585 119.070 -0.119 0.000 2.462 185 H HA -0.094 4.731 4.556 0.448 0.000 0.292 185 H C 1.760 177.059 175.328 -0.049 0.000 1.049 185 H CA 1.232 57.223 56.048 -0.094 0.000 1.334 185 H CB 0.153 29.867 29.762 -0.079 0.000 1.404 185 H HN 0.451 nan 8.280 nan 0.000 0.544 186 D N 1.161 121.599 120.400 0.064 0.000 2.117 186 D HA -0.091 4.818 4.640 0.448 0.000 0.198 186 D C 2.039 178.384 176.300 0.074 0.000 0.982 186 D CA 0.834 54.877 54.000 0.072 0.000 0.828 186 D CB 0.092 40.934 40.800 0.071 0.000 0.967 186 D HN 0.361 nan 8.370 nan 0.000 0.464 187 K N 0.390 120.815 120.400 0.042 0.000 2.057 187 K HA -0.043 4.546 4.320 0.448 0.000 0.207 187 K C 2.357 178.972 176.600 0.025 0.000 1.049 187 K CA 0.571 56.913 56.287 0.092 0.000 0.931 187 K CB -0.078 32.477 32.500 0.091 0.000 0.714 187 K HN 0.133 nan 8.250 nan 0.000 0.440 188 L N 0.532 121.700 121.223 -0.092 0.000 2.046 188 L HA -0.180 4.429 4.340 0.448 0.000 0.208 188 L C 2.397 179.288 176.870 0.035 0.000 1.077 188 L CA 0.581 55.373 54.840 -0.080 0.000 0.747 188 L CB -0.445 41.525 42.059 -0.149 0.000 0.896 188 L HN 0.160 nan 8.230 nan 0.000 0.432 189 L N 0.209 121.465 121.223 0.056 0.000 2.191 189 L HA -0.198 4.411 4.340 0.448 0.000 0.212 189 L C 2.400 179.371 176.870 0.168 0.000 1.103 189 L CA 1.629 56.527 54.840 0.096 0.000 0.769 189 L CB -0.533 41.578 42.059 0.086 0.000 0.908 189 L HN 0.256 nan 8.230 nan 0.000 0.438 190 E N -0.586 119.719 120.200 0.175 0.000 2.106 190 E HA -0.200 4.419 4.350 0.448 0.000 0.192 190 E C 2.218 178.924 176.600 0.176 0.000 0.984 190 E CA 1.217 57.749 56.400 0.221 0.000 0.806 190 E CB -0.085 29.753 29.700 0.229 0.000 0.750 190 E HN 0.615 nan 8.360 nan 0.000 0.458 191 I N 0.384 121.029 120.570 0.126 0.000 2.353 191 I HA -0.190 4.249 4.170 0.448 0.000 0.248 191 I C 2.191 178.295 176.117 -0.021 0.000 1.119 191 I CA 0.474 61.808 61.300 0.058 0.000 1.417 191 I CB -0.265 37.746 38.000 0.019 0.000 1.078 191 I HN 0.185 nan 8.210 nan 0.000 0.421 192 F N 1.708 121.597 119.950 -0.103 0.000 2.161 192 F HA -0.268 4.528 4.527 0.448 0.000 0.300 192 F C 2.579 178.211 175.800 -0.280 0.000 1.089 192 F CA 1.790 59.668 58.000 -0.205 0.000 1.282 192 F CB -0.541 38.282 39.000 -0.295 0.000 1.010 192 F HN 0.144 nan 8.300 nan 0.000 0.485 193 H N -0.405 118.451 119.070 -0.357 0.000 2.521 193 H HA -0.060 4.765 4.556 0.448 0.000 0.286 193 H C 2.293 177.412 175.328 -0.349 0.000 1.034 193 H CA 1.661 57.470 56.048 -0.399 0.000 1.278 193 H CB -0.713 28.977 29.762 -0.119 0.000 1.386 193 H HN 0.412 nan 8.280 nan 0.000 0.567 194 T N -1.480 112.957 114.554 -0.194 0.000 3.113 194 T HA 0.034 4.653 4.350 0.448 0.000 0.256 194 T C 1.632 176.188 174.700 -0.239 0.000 1.131 194 T CA 0.494 62.486 62.100 -0.179 0.000 1.074 194 T CB -0.417 68.352 68.868 -0.166 0.000 0.944 194 T HN 0.517 nan 8.240 nan 0.000 0.516 195 I N -2.274 118.085 120.570 -0.351 0.000 4.338 195 I HA 0.684 5.123 4.170 0.448 0.000 0.329 195 I C 0.728 176.616 176.117 -0.382 0.000 1.378 195 I CA -1.114 60.014 61.300 -0.285 0.000 1.170 195 I CB 0.011 37.902 38.000 -0.181 0.000 1.206 195 I HN 0.099 nan 8.210 nan 0.000 0.432 196 A N 1.506 123.893 122.820 -0.721 0.000 2.425 196 A HA 0.358 4.947 4.320 0.448 0.000 0.242 196 A C -0.106 177.367 177.584 -0.186 0.000 1.077 196 A CA 0.228 51.788 52.037 -0.794 0.000 0.781 196 A CB 0.201 18.387 19.000 -1.356 0.000 1.020 196 A HN 0.574 nan 8.150 nan 0.000 0.494 197 Q N 1.837 121.718 119.800 0.135 0.000 2.400 197 Q HA 0.307 4.915 4.340 0.448 0.000 0.255 197 Q C -1.984 174.252 176.000 0.392 0.000 1.008 197 Q CA -1.573 54.388 55.803 0.264 0.000 0.841 197 Q CB 1.552 30.473 28.738 0.305 0.000 1.220 197 Q HN 0.498 nan 8.270 nan 0.000 0.474 198 P HA -0.189 nan 4.420 nan 0.000 0.218 198 P C 0.756 178.154 177.300 0.162 0.000 1.149 198 P CA 1.112 64.342 63.100 0.216 0.000 0.817 198 P CB 0.309 32.083 31.700 0.123 0.000 0.785 199 S N -1.772 114.026 115.700 0.164 0.000 2.660 199 S HA 0.030 4.769 4.470 0.448 0.000 0.228 199 S C 1.205 175.914 174.600 0.183 0.000 0.966 199 S CA 0.660 58.942 58.200 0.137 0.000 0.940 199 S CB -1.022 62.243 63.200 0.109 0.000 0.773 199 S HN 0.129 nan 8.310 nan 0.000 0.535 200 L N -0.134 121.259 121.223 0.283 0.000 3.217 200 L HA 0.368 4.976 4.340 0.448 0.000 0.288 200 L C 0.748 177.867 176.870 0.414 0.000 1.202 200 L CA -0.499 54.567 54.840 0.376 0.000 1.027 200 L CB 0.313 42.646 42.059 0.458 0.000 1.427 200 L HN 0.146 nan 8.230 nan 0.000 0.600 201 R N 1.281 121.899 120.500 0.196 0.000 2.458 201 R HA 0.000 4.609 4.340 0.448 0.000 0.303 201 R C -0.137 176.114 176.300 -0.081 0.000 1.013 201 R CA 0.396 56.355 56.100 -0.236 0.000 1.026 201 R CB -0.225 29.671 30.300 -0.673 0.000 0.948 201 R HN 0.325 nan 8.270 nan 0.000 0.417 202 H N 1.481 120.494 119.070 -0.095 0.000 2.826 202 H HA -0.162 4.663 4.556 0.448 0.000 0.306 202 H C 0.312 175.691 175.328 0.085 0.000 1.235 202 H CA 0.741 56.799 56.048 0.017 0.000 1.150 202 H CB -1.010 28.729 29.762 -0.038 0.000 1.409 202 H HN 0.894 nan 8.280 nan 0.000 0.420 203 T N -4.304 110.412 114.554 0.269 0.000 2.958 203 T HA 0.078 4.697 4.350 0.448 0.000 0.256 203 T C 0.475 175.314 174.700 0.232 0.000 0.983 203 T CA -0.303 61.939 62.100 0.236 0.000 0.924 203 T CB 0.354 69.362 68.868 0.233 0.000 1.136 203 T HN 0.197 nan 8.240 nan 0.000 0.506 204 Y N 2.333 122.551 120.300 -0.136 0.000 2.379 204 Y HA 0.700 5.520 4.550 0.451 0.000 0.337 204 Y C 1.047 176.767 175.900 -0.299 0.000 1.238 204 Y CA -0.948 56.893 58.100 -0.432 0.000 1.405 204 Y CB 0.974 38.712 38.460 -1.202 0.000 1.310 204 Y HN 0.301 nan 8.280 nan 0.000 0.569 205 S N 0.103 115.766 115.700 -0.061 0.000 2.757 205 S HA 0.320 5.059 4.470 0.448 0.000 0.285 205 S C -1.751 172.829 174.600 -0.033 0.000 1.196 205 S CA -0.959 57.332 58.200 0.150 0.000 0.856 205 S CB 0.630 64.018 63.200 0.313 0.000 1.212 205 S HN 0.702 nan 8.310 nan 0.000 0.516 206 D N 1.115 121.457 120.400 -0.096 0.000 2.358 206 D HA 0.428 5.336 4.640 0.448 0.000 0.244 206 D C 0.586 176.803 176.300 -0.139 0.000 1.163 206 D CA -0.276 53.592 54.000 -0.220 0.000 0.945 206 D CB 0.720 41.331 40.800 -0.316 0.000 1.152 206 D HN 0.602 nan 8.370 nan 0.000 0.451 207 V N -2.701 117.078 119.914 -0.224 0.000 3.103 207 V HA 0.668 5.056 4.120 0.448 0.000 0.318 207 V C 0.525 176.444 176.094 -0.291 0.000 1.114 207 V CA -0.680 61.459 62.300 -0.268 0.000 1.020 207 V CB 0.995 32.542 31.823 -0.460 0.000 1.085 207 V HN 0.868 nan 8.190 nan 0.000 0.446 208 T N -1.407 113.008 114.554 -0.231 0.000 2.860 208 T HA 0.174 4.793 4.350 0.448 0.000 0.299 208 T C 0.581 175.181 174.700 -0.165 0.000 1.045 208 T CA 0.365 62.358 62.100 -0.177 0.000 1.071 208 T CB 0.468 69.300 68.868 -0.060 0.000 0.985 208 T HN 0.811 nan 8.240 nan 0.000 0.537 209 W N 0.434 121.709 121.300 -0.041 0.000 2.342 209 W HA -0.066 4.595 4.660 0.002 0.000 0.297 209 W C 2.676 179.173 176.519 -0.038 0.000 1.213 209 W CA 1.176 58.506 57.345 -0.026 0.000 1.251 209 W CB -0.106 29.354 29.460 -0.001 0.000 1.136 209 W HN 0.964 nan 8.180 nan 0.000 0.526 210 E N 0.437 120.754 120.200 0.195 0.000 2.058 210 E HA -0.364 4.255 4.350 0.448 0.000 0.194 210 E C 2.115 178.732 176.600 0.029 0.000 0.997 210 E CA 1.765 58.223 56.400 0.096 0.000 0.801 210 E CB -0.224 29.511 29.700 0.058 0.000 0.746 210 E HN 0.165 nan 8.360 nan 0.000 0.450 211 Q N 0.465 120.229 119.800 -0.060 0.000 2.119 211 Q HA -0.139 4.470 4.340 0.448 0.000 0.201 211 Q C 2.053 177.944 176.000 -0.183 0.000 0.972 211 Q CA 1.218 56.918 55.803 -0.173 0.000 0.847 211 Q CB -0.327 28.205 28.738 -0.343 0.000 0.903 211 Q HN 0.396 nan 8.270 nan 0.000 0.433 212 L N 0.449 121.598 121.223 -0.124 0.000 2.072 212 L HA -0.005 4.604 4.340 0.448 0.000 0.205 212 L C 1.630 178.603 176.870 0.171 0.000 1.079 212 L CA 1.812 56.677 54.840 0.042 0.000 0.752 212 L CB -0.387 41.704 42.059 0.054 0.000 0.906 212 L HN 0.240 nan 8.230 nan 0.000 0.436 213 E N -0.518 119.784 120.200 0.170 0.000 2.409 213 E HA -0.066 4.553 4.350 0.448 0.000 0.198 213 E C 1.507 178.170 176.600 0.106 0.000 1.024 213 E CA 0.620 57.109 56.400 0.148 0.000 0.861 213 E CB -0.109 29.669 29.700 0.130 0.000 0.788 213 E HN 0.588 nan 8.360 nan 0.000 0.521 214 A N 0.543 123.423 122.820 0.101 0.000 2.415 214 A HA 0.293 4.882 4.320 0.448 0.000 0.248 214 A C 1.197 178.853 177.584 0.121 0.000 1.299 214 A CA 0.360 52.451 52.037 0.089 0.000 0.899 214 A CB 0.310 19.352 19.000 0.070 0.000 0.997 214 A HN 0.191 nan 8.150 nan 0.000 0.506 215 G N -0.850 108.043 108.800 0.156 0.000 5.302 215 G HA2 0.449 4.678 3.960 0.448 0.000 0.223 215 G HA3 0.449 4.678 3.960 0.448 0.000 0.223 215 G C -0.938 174.040 174.900 0.129 0.000 0.832 215 G CA 0.366 45.564 45.100 0.163 0.000 0.714 215 G HN 0.562 nan 8.290 nan 0.000 0.444 216 V N 0.191 120.167 119.914 0.103 0.000 3.087 216 V HA 0.612 5.001 4.120 0.448 0.000 0.306 216 V C -1.554 174.573 176.094 0.055 0.000 1.187 216 V CA -1.182 61.168 62.300 0.084 0.000 0.999 216 V CB 2.482 34.375 31.823 0.117 0.000 1.049 216 V HN 0.197 nan 8.190 nan 0.000 0.431 217 N N 4.062 122.783 118.700 0.037 0.000 2.437 217 N HA 0.319 5.328 4.740 0.448 0.000 0.243 217 N C 0.917 176.436 175.510 0.014 0.000 1.041 217 N CA -0.087 52.974 53.050 0.018 0.000 0.940 217 N CB 0.990 39.478 38.487 0.003 0.000 1.133 217 N HN 0.656 nan 8.380 nan 0.000 0.506 218 R N 2.162 122.670 120.500 0.013 0.000 2.249 218 R HA -0.094 4.515 4.340 0.448 0.000 0.230 218 R C 0.423 176.720 176.300 -0.005 0.000 1.121 218 R CA 1.147 57.251 56.100 0.007 0.000 0.997 218 R CB 0.223 30.524 30.300 0.001 0.000 0.867 218 R HN 0.377 nan 8.270 nan 0.000 0.465 219 K N -0.028 120.365 120.400 -0.012 0.000 2.437 219 K HA 0.100 4.689 4.320 0.448 0.000 0.198 219 K C 0.359 176.936 176.600 -0.039 0.000 1.024 219 K CA 0.013 56.286 56.287 -0.023 0.000 1.148 219 K CB 0.584 33.070 32.500 -0.023 0.000 0.860 219 K HN 0.117 nan 8.250 nan 0.000 0.515 220 G N 1.147 109.924 108.800 -0.038 0.000 2.225 220 G HA2 0.213 4.442 3.960 0.448 0.000 0.245 220 G HA3 0.213 4.442 3.960 0.448 0.000 0.245 220 G C 0.172 175.013 174.900 -0.098 0.000 1.249 220 G CA 0.027 45.082 45.100 -0.075 0.000 0.919 220 G HN 0.356 nan 8.290 nan 0.000 0.486 221 A N 2.088 124.796 122.820 -0.187 0.000 2.577 221 A HA 0.498 5.087 4.320 0.448 0.000 0.233 221 A C 1.046 178.589 177.584 -0.069 0.000 1.076 221 A CA 0.716 52.649 52.037 -0.174 0.000 0.767 221 A CB 0.171 18.952 19.000 -0.365 0.000 1.017 221 A HN 2.030 nan 8.150 nan 0.000 0.511 222 A N 1.161 124.011 122.820 0.051 0.000 2.301 222 A HA 0.647 5.236 4.320 0.448 0.000 0.312 222 A C 0.879 178.625 177.584 0.270 0.000 1.182 222 A CA 0.023 52.132 52.037 0.121 0.000 0.826 222 A CB 0.227 19.272 19.000 0.076 0.000 1.134 222 A HN 1.915 nan 8.150 nan 0.000 0.501 223 G N 0.093 109.068 108.800 0.291 0.000 2.750 223 G HA2 0.264 4.493 3.960 0.448 0.000 0.250 223 G HA3 0.264 4.493 3.960 0.448 0.000 0.250 223 G C 0.615 175.710 174.900 0.325 0.000 1.230 223 G CA 0.096 45.370 45.100 0.290 0.000 0.883 223 G HN 0.705 nan 8.290 nan 0.000 0.573 224 F N 0.240 120.342 119.950 0.254 0.000 1.990 224 F HA -0.127 4.668 4.527 0.448 0.000 0.297 224 F C 2.547 178.462 175.800 0.191 0.000 1.199 224 F CA 1.857 59.995 58.000 0.229 0.000 1.184 224 F CB -0.447 38.704 39.000 0.253 0.000 0.956 224 F HN 0.180 nan 8.300 nan 0.000 0.503 225 L N -0.036 121.399 121.223 0.354 0.000 2.642 225 L HA -0.080 4.529 4.340 0.448 0.000 0.236 225 L C 0.705 177.637 176.870 0.103 0.000 1.169 225 L CA 0.403 55.312 54.840 0.116 0.000 0.851 225 L CB -1.156 40.944 42.059 0.069 0.000 0.968 225 L HN 0.285 nan 8.230 nan 0.000 0.453 226 E N 0.258 120.555 120.200 0.162 0.000 2.318 226 E HA 0.105 4.724 4.350 0.448 0.000 0.265 226 E C 0.422 177.051 176.600 0.047 0.000 1.069 226 E CA -0.468 56.001 56.400 0.115 0.000 0.893 226 E CB 1.100 30.892 29.700 0.153 0.000 1.076 226 E HN 0.065 nan 8.360 nan 0.000 0.414 227 K N 2.129 122.551 120.400 0.037 0.000 2.102 227 K HA 0.138 4.727 4.320 0.448 0.000 0.208 227 K C 0.250 176.861 176.600 0.018 0.000 1.027 227 K CA 0.868 57.165 56.287 0.015 0.000 0.958 227 K CB -0.216 32.292 32.500 0.013 0.000 0.819 227 K HN 0.209 nan 8.250 nan 0.000 0.453 228 K N 1.498 121.913 120.400 0.025 0.000 2.109 228 K HA 0.215 4.804 4.320 0.448 0.000 0.243 228 K C -0.160 176.457 176.600 0.029 0.000 1.006 228 K CA -0.922 55.378 56.287 0.021 0.000 0.917 228 K CB 0.441 32.952 32.500 0.018 0.000 1.081 228 K HN 0.226 nan 8.250 nan 0.000 0.468 229 N N -0.856 117.855 118.700 0.018 0.000 2.502 229 N HA 0.054 5.063 4.740 0.448 0.000 0.280 229 N C 0.996 176.516 175.510 0.017 0.000 1.223 229 N CA -0.617 52.441 53.050 0.014 0.000 0.966 229 N CB 0.493 38.979 38.487 -0.001 0.000 1.203 229 N HN 0.194 nan 8.380 nan 0.000 0.565 230 V N 0.523 120.446 119.914 0.015 0.000 2.252 230 V HA -0.280 4.109 4.120 0.448 0.000 0.255 230 V C 2.381 178.488 176.094 0.022 0.000 1.071 230 V CA 2.775 65.093 62.300 0.030 0.000 1.050 230 V CB -1.374 30.465 31.823 0.026 0.000 0.654 230 V HN 0.913 nan 8.190 nan 0.000 0.448 231 G N -1.421 107.384 108.800 0.007 0.000 2.408 231 G HA2 -0.213 4.016 3.960 0.448 0.000 0.217 231 G HA3 -0.213 4.016 3.960 0.448 0.000 0.217 231 G C 1.451 176.342 174.900 -0.015 0.000 1.150 231 G CA 0.793 45.890 45.100 -0.004 0.000 0.776 231 G HN 0.597 nan 8.290 nan 0.000 0.542 232 E N -0.268 119.926 120.200 -0.009 0.000 2.208 232 E HA -0.016 4.603 4.350 0.448 0.000 0.193 232 E C 2.607 179.200 176.600 -0.012 0.000 0.988 232 E CA 0.381 56.774 56.400 -0.012 0.000 0.828 232 E CB 0.110 29.808 29.700 -0.004 0.000 0.763 232 E HN 0.328 nan 8.360 nan 0.000 0.478 233 V N 0.965 120.878 119.914 -0.002 0.000 2.407 233 V HA -0.181 4.208 4.120 0.448 0.000 0.245 233 V C 2.130 178.194 176.094 -0.051 0.000 1.041 233 V CA 1.144 63.446 62.300 0.003 0.000 1.040 233 V CB -0.237 31.608 31.823 0.038 0.000 0.671 233 V HN 0.266 nan 8.190 nan 0.000 0.455 234 L N -0.160 121.018 121.223 -0.074 0.000 2.201 234 L HA -0.153 4.456 4.340 0.448 0.000 0.212 234 L C 2.208 178.970 176.870 -0.180 0.000 1.105 234 L CA 1.229 55.961 54.840 -0.180 0.000 0.775 234 L CB -0.559 41.433 42.059 -0.112 0.000 0.913 234 L HN 0.333 nan 8.230 nan 0.000 0.440 235 D N -0.625 119.713 120.400 -0.104 0.000 2.123 235 D HA -0.108 4.801 4.640 0.448 0.000 0.200 235 D C 1.947 178.191 176.300 -0.093 0.000 0.976 235 D CA 1.712 55.658 54.000 -0.090 0.000 0.831 235 D CB 0.168 40.935 40.800 -0.056 0.000 0.974 235 D HN 0.360 nan 8.370 nan 0.000 0.469 236 S N -1.822 113.837 115.700 -0.069 0.000 2.911 236 S HA 0.232 4.971 4.470 0.448 0.000 0.261 236 S C 0.609 175.217 174.600 0.015 0.000 1.021 236 S CA -0.571 57.597 58.200 -0.054 0.000 1.222 236 S CB 0.394 63.577 63.200 -0.028 0.000 1.171 236 S HN 0.039 nan 8.310 nan 0.000 0.669 237 E N 0.852 121.078 120.200 0.043 0.000 2.876 237 E HA 0.276 4.895 4.350 0.448 0.000 0.208 237 E C 0.599 177.322 176.600 0.204 0.000 0.981 237 E CA -0.173 56.348 56.400 0.201 0.000 1.174 237 E CB 0.450 30.215 29.700 0.108 0.000 1.047 237 E HN 0.337 nan 8.360 nan 0.000 0.477 238 K N 0.767 121.189 120.400 0.036 0.000 2.160 238 K HA -0.203 4.386 4.320 0.448 0.000 0.206 238 K C 2.008 178.772 176.600 0.273 0.000 1.047 238 K CA 1.589 57.835 56.287 -0.069 0.000 0.930 238 K CB -0.191 31.931 32.500 -0.629 0.000 0.720 238 K HN 0.351 nan 8.250 nan 0.000 0.450 239 H N 0.336 119.435 119.070 0.048 0.000 2.421 239 H HA -0.076 4.745 4.556 0.442 0.000 0.298 239 H C 1.829 177.224 175.328 0.112 0.000 1.087 239 H CA 0.889 56.996 56.048 0.098 0.000 1.330 239 H CB -0.592 29.201 29.762 0.052 0.000 1.388 239 H HN 0.031 nan 8.280 nan 0.000 0.526 240 L N 0.797 121.837 121.223 -0.305 0.000 2.093 240 L HA -0.067 4.541 4.340 0.448 0.000 0.208 240 L C 2.840 179.718 176.870 0.013 0.000 1.085 240 L CA 0.743 55.440 54.840 -0.239 0.000 0.755 240 L CB -0.777 41.132 42.059 -0.251 0.000 0.904 240 L HN 0.153 nan 8.230 nan 0.000 0.435 241 V N -1.004 118.993 119.914 0.138 0.000 2.379 241 V HA -0.239 4.150 4.120 0.448 0.000 0.245 241 V C 2.464 178.702 176.094 0.241 0.000 1.044 241 V CA 1.414 63.850 62.300 0.227 0.000 1.036 241 V CB -0.404 31.653 31.823 0.391 0.000 0.664 241 V HN 0.437 nan 8.190 nan 0.000 0.453 242 E N -0.139 120.243 120.200 0.303 0.000 2.110 242 E HA -0.307 4.312 4.350 0.448 0.000 0.193 242 E C 2.290 178.996 176.600 0.177 0.000 0.988 242 E CA 1.571 58.125 56.400 0.256 0.000 0.804 242 E CB -0.064 29.823 29.700 0.312 0.000 0.745 242 E HN 0.693 nan 8.360 nan 0.000 0.458 243 Q N 0.374 120.252 119.800 0.130 0.000 2.050 243 Q HA -0.197 4.412 4.340 0.448 0.000 0.202 243 Q C 2.238 178.294 176.000 0.094 0.000 0.980 243 Q CA 1.354 57.208 55.803 0.086 0.000 0.840 243 Q CB -0.136 28.616 28.738 0.025 0.000 0.898 243 Q HN 0.338 nan 8.270 nan 0.000 0.424 244 L N 0.404 121.685 121.223 0.095 0.000 2.013 244 L HA -0.256 4.353 4.340 0.448 0.000 0.212 244 L C 2.483 179.449 176.870 0.159 0.000 1.073 244 L CA 1.311 56.210 54.840 0.098 0.000 0.753 244 L CB -0.418 41.699 42.059 0.097 0.000 0.890 244 L HN 0.392 nan 8.230 nan 0.000 0.432 245 I N -0.633 120.070 120.570 0.221 0.000 2.127 245 I HA -0.345 4.094 4.170 0.448 0.000 0.241 245 I C 2.667 178.994 176.117 0.350 0.000 1.075 245 I CA 1.407 62.916 61.300 0.348 0.000 1.334 245 I CB -0.261 37.900 38.000 0.268 0.000 1.040 245 I HN 0.181 nan 8.210 nan 0.000 0.405 246 R N 0.541 121.178 120.500 0.228 0.000 2.148 246 R HA -0.144 4.465 4.340 0.448 0.000 0.227 246 R C 1.816 178.195 176.300 0.133 0.000 1.103 246 R CA 1.211 57.412 56.100 0.169 0.000 0.983 246 R CB -0.263 30.104 30.300 0.112 0.000 0.874 246 R HN 0.334 nan 8.270 nan 0.000 0.451 247 D N -0.000 120.469 120.400 0.116 0.000 2.103 247 D HA -0.077 4.832 4.640 0.448 0.000 0.199 247 D C 1.774 178.117 176.300 0.071 0.000 0.978 247 D CA 0.987 55.030 54.000 0.071 0.000 0.829 247 D CB -0.051 40.776 40.800 0.046 0.000 0.981 247 D HN 0.134 nan 8.370 nan 0.000 0.464 248 L N 0.586 121.862 121.223 0.088 0.000 2.083 248 L HA -0.131 4.478 4.340 0.448 0.000 0.209 248 L C 2.383 179.348 176.870 0.158 0.000 1.083 248 L CA 0.988 55.830 54.840 0.003 0.000 0.752 248 L CB -0.290 41.610 42.059 -0.265 0.000 0.899 248 L HN 0.005 nan 8.230 nan 0.000 0.433 249 K N -0.030 120.595 120.400 0.374 0.000 2.211 249 K HA -0.188 4.401 4.320 0.448 0.000 0.204 249 K C 1.833 178.521 176.600 0.146 0.000 1.047 249 K CA 1.815 58.326 56.287 0.372 0.000 0.935 249 K CB 0.024 32.699 32.500 0.293 0.000 0.728 249 K HN 0.440 nan 8.250 nan 0.000 0.452 250 T N -4.536 110.071 114.554 0.088 0.000 3.044 250 T HA 0.242 4.861 4.350 0.448 0.000 0.250 250 T C 1.192 175.903 174.700 0.018 0.000 1.081 250 T CA 0.427 62.547 62.100 0.033 0.000 1.040 250 T CB 0.746 69.625 68.868 0.018 0.000 0.962 250 T HN 0.321 nan 8.240 nan 0.000 0.506 251 G N 1.502 110.311 108.800 0.015 0.000 2.184 251 G HA2 -0.184 4.045 3.960 0.448 0.000 0.206 251 G HA3 -0.184 4.045 3.960 0.448 0.000 0.206 251 G C 0.067 174.942 174.900 -0.043 0.000 0.995 251 G CA -0.594 44.490 45.100 -0.025 0.000 0.651 251 G HN 0.589 nan 8.290 nan 0.000 0.511 252 R N 1.396 121.885 120.500 -0.018 0.000 2.351 252 R HA 0.301 4.910 4.340 0.448 0.000 0.318 252 R C 0.587 176.879 176.300 -0.013 0.000 1.055 252 R CA -0.215 55.878 56.100 -0.012 0.000 0.968 252 R CB 0.524 30.828 30.300 0.007 0.000 0.974 252 R HN 0.047 nan 8.270 nan 0.000 0.439 253 K N 3.634 124.021 120.400 -0.021 0.000 2.336 253 K HA 0.141 4.730 4.320 0.448 0.000 0.262 253 K C 0.769 177.448 176.600 0.132 0.000 0.992 253 K CA 0.219 56.529 56.287 0.039 0.000 0.927 253 K CB 0.481 32.955 32.500 -0.043 0.000 0.956 253 K HN 0.583 nan 8.250 nan 0.000 0.495 254 I N -2.512 118.190 120.570 0.220 0.000 3.516 254 I HA 0.428 4.867 4.170 0.448 0.000 0.302 254 I C -0.340 175.648 176.117 -0.214 0.000 1.143 254 I CA -1.340 59.929 61.300 -0.052 0.000 1.003 254 I CB 1.618 39.570 38.000 -0.079 0.000 1.347 254 I HN 0.246 nan 8.210 nan 0.000 0.486 255 R N 1.345 121.619 120.500 -0.376 0.000 3.657 255 R HA 0.259 4.868 4.340 0.448 0.000 0.220 255 R C -1.376 174.760 176.300 -0.274 0.000 1.548 255 R CA -0.386 55.259 56.100 -0.759 0.000 1.465 255 R CB -0.254 29.262 30.300 -1.306 0.000 1.330 255 R HN 0.455 nan 8.270 nan 0.000 0.707 256 Y N 3.053 123.222 120.300 -0.218 0.000 2.319 256 Y HA 0.160 4.977 4.550 0.446 0.000 0.328 256 Y C -0.507 175.601 175.900 0.347 0.000 1.133 256 Y CA -0.345 57.696 58.100 -0.097 0.000 1.265 256 Y CB 0.424 38.596 38.460 -0.480 0.000 1.218 256 Y HN 0.398 nan 8.280 nan 0.000 0.508 257 Y N 1.703 121.668 120.300 -0.559 0.000 2.641 257 Y HA 0.606 5.425 4.550 0.448 0.000 0.333 257 Y C -1.859 173.709 175.900 -0.553 0.000 1.174 257 Y CA -1.341 56.559 58.100 -0.333 0.000 1.057 257 Y CB 1.056 39.572 38.460 0.093 0.000 1.322 257 Y HN 0.551 nan 8.280 nan 0.000 0.457 258 E N 0.940 120.824 120.200 -0.527 0.000 2.277 258 E HA 0.545 5.164 4.350 0.448 0.000 0.266 258 E C -1.335 175.005 176.600 -0.433 0.000 0.901 258 E CA -1.463 54.579 56.400 -0.597 0.000 0.782 258 E CB 2.504 31.985 29.700 -0.365 0.000 1.228 258 E HN 0.655 nan 8.360 nan 0.000 0.424 259 T N 1.159 115.335 114.554 -0.629 0.000 2.795 259 T HA 0.511 5.130 4.350 0.448 0.000 0.282 259 T C -0.514 173.997 174.700 -0.315 0.000 0.980 259 T CA -0.627 61.215 62.100 -0.431 0.000 1.012 259 T CB 1.214 69.786 68.868 -0.493 0.000 0.936 259 T HN 0.490 nan 8.240 nan 0.000 0.457 260 A N 3.941 126.747 122.820 -0.023 0.000 2.276 260 A HA 0.842 5.431 4.320 0.448 0.000 0.316 260 A C -0.127 177.635 177.584 0.297 0.000 1.229 260 A CA -0.782 51.390 52.037 0.226 0.000 0.851 260 A CB -0.083 19.162 19.000 0.408 0.000 1.165 260 A HN 0.938 nan 8.150 nan 0.000 0.513 261 I N -0.416 120.301 120.570 0.244 0.000 2.994 261 I HA 0.712 5.151 4.170 0.448 0.000 0.306 261 I C -3.137 172.928 176.117 -0.087 0.000 1.195 261 I CA -2.955 58.294 61.300 -0.086 0.000 1.001 261 I CB 2.437 40.465 38.000 0.047 0.000 1.244 261 I HN 0.250 nan 8.210 nan 0.000 0.437 262 P HA 0.290 nan 4.420 nan 0.000 0.276 262 P C 0.014 177.328 177.300 0.023 0.000 1.244 262 P CA -0.492 62.555 63.100 -0.088 0.000 0.801 262 P CB 0.827 32.392 31.700 -0.225 0.000 1.006 263 K N 0.366 120.819 120.400 0.089 0.000 2.209 263 K HA -0.268 4.321 4.320 0.448 0.000 0.220 263 K C 1.087 177.716 176.600 0.048 0.000 1.002 263 K CA 2.139 58.471 56.287 0.075 0.000 0.947 263 K CB -0.657 31.884 32.500 0.069 0.000 0.891 263 K HN 0.708 nan 8.250 nan 0.000 0.476 285 R N 0.959 121.546 120.500 0.146 0.000 2.441 285 R HA 0.492 5.101 4.340 0.448 0.000 0.284 285 R C -0.631 175.797 176.300 0.213 0.000 1.070 285 R CA -0.323 55.865 56.100 0.147 0.000 1.047 285 R CB 1.008 31.381 30.300 0.122 0.000 1.016 285 R HN -0.027 nan 8.270 nan 0.000 0.477 286 V N 6.635 126.672 119.914 0.204 0.000 2.385 286 V HA 0.261 4.649 4.120 0.448 0.000 0.269 286 V C 0.480 176.723 176.094 0.249 0.000 1.043 286 V CA -0.424 62.048 62.300 0.287 0.000 0.906 286 V CB 0.959 32.888 31.823 0.177 0.000 0.995 286 V HN 0.678 nan 8.190 nan 0.000 0.467 287 I N 5.365 126.101 120.570 0.278 0.000 2.315 287 I HA 0.371 4.810 4.170 0.448 0.000 0.291 287 I C -0.020 176.249 176.117 0.252 0.000 1.006 287 I CA -0.186 61.258 61.300 0.241 0.000 1.265 287 I CB 1.284 39.420 38.000 0.226 0.000 1.387 287 I HN 0.645 nan 8.210 nan 0.000 0.475 288 Q N 7.218 127.142 119.800 0.207 0.000 2.325 288 Q HA 0.478 5.087 4.340 0.448 0.000 0.270 288 Q C -1.489 174.585 176.000 0.124 0.000 1.020 288 Q CA -0.715 55.153 55.803 0.108 0.000 0.785 288 Q CB 2.315 31.107 28.738 0.091 0.000 1.259 288 Q HN 0.571 nan 8.270 nan 0.000 0.452 289 Y N 0.198 120.504 120.300 0.011 0.000 2.562 289 Y HA 0.807 5.626 4.550 0.448 0.000 0.345 289 Y C -3.163 172.656 175.900 -0.136 0.000 1.045 289 Y CA -3.156 54.932 58.100 -0.020 0.000 1.028 289 Y CB 1.254 39.718 38.460 0.006 0.000 1.297 289 Y HN 0.336 nan 8.280 nan 0.000 0.463 290 P HA 0.209 nan 4.420 nan 0.000 0.283 290 P C -0.922 176.374 177.300 -0.008 0.000 1.271 290 P CA -0.390 62.574 63.100 -0.228 0.000 0.841 290 P CB 1.604 33.256 31.700 -0.079 0.000 1.122 291 E N -0.023 120.065 120.200 -0.187 0.000 2.492 291 E HA -0.015 4.604 4.350 0.448 0.000 0.266 291 E C 1.418 178.071 176.600 0.088 0.000 1.047 291 E CA 0.046 56.444 56.400 -0.004 0.000 0.968 291 E CB 0.232 29.920 29.700 -0.019 0.000 0.960 291 E HN 0.431 nan 8.360 nan 0.000 0.452 292 A N 3.552 126.435 122.820 0.104 0.000 2.019 292 A HA -0.212 4.377 4.320 0.448 0.000 0.219 292 A C 1.833 179.477 177.584 0.101 0.000 1.164 292 A CA 1.458 53.548 52.037 0.088 0.000 0.644 292 A CB -0.122 18.917 19.000 0.066 0.000 0.805 292 A HN 0.531 nan 8.150 nan 0.000 0.449 293 K N -1.129 119.328 120.400 0.095 0.000 2.217 293 K HA -0.054 4.535 4.320 0.448 0.000 0.202 293 K C 1.818 178.491 176.600 0.121 0.000 1.051 293 K CA 1.544 57.896 56.287 0.109 0.000 0.952 293 K CB -0.098 32.451 32.500 0.083 0.000 0.736 293 K HN 0.484 nan 8.250 nan 0.000 0.453 294 T N 0.305 114.922 114.554 0.104 0.000 2.937 294 T HA 0.005 4.624 4.350 0.448 0.000 0.260 294 T C 1.603 176.388 174.700 0.141 0.000 1.051 294 T CA 0.686 62.859 62.100 0.121 0.000 1.141 294 T CB 0.031 68.972 68.868 0.122 0.000 0.879 294 T HN 0.171 nan 8.240 nan 0.000 0.459 295 R N 0.316 120.896 120.500 0.133 0.000 2.237 295 R HA 0.079 4.688 4.340 0.448 0.000 0.219 295 R C 1.650 178.032 176.300 0.137 0.000 1.080 295 R CA 0.559 56.737 56.100 0.131 0.000 0.995 295 R CB -0.165 30.202 30.300 0.111 0.000 0.875 295 R HN 0.203 nan 8.270 nan 0.000 0.462 296 L N -0.480 120.837 121.223 0.156 0.000 2.202 296 L HA 0.135 4.744 4.340 0.448 0.000 0.205 296 L C 2.190 179.152 176.870 0.153 0.000 1.083 296 L CA 1.285 56.240 54.840 0.191 0.000 0.790 296 L CB -0.716 41.507 42.059 0.273 0.000 0.942 296 L HN 0.056 nan 8.230 nan 0.000 0.452 297 A N -0.345 122.573 122.820 0.163 0.000 1.873 297 A HA -0.127 4.462 4.320 0.448 0.000 0.215 297 A C 2.271 179.964 177.584 0.183 0.000 1.186 297 A CA 1.519 53.654 52.037 0.162 0.000 0.616 297 A CB -0.552 18.569 19.000 0.201 0.000 0.823 297 A HN 0.323 nan 8.150 nan 0.000 0.442 298 I N -0.372 120.326 120.570 0.213 0.000 2.142 298 I HA -0.222 4.217 4.170 0.448 0.000 0.240 298 I C 2.569 178.758 176.117 0.119 0.000 1.078 298 I CA 1.821 63.266 61.300 0.242 0.000 1.343 298 I CB -0.775 37.335 38.000 0.184 0.000 1.046 298 I HN 0.249 nan 8.210 nan 0.000 0.405 299 T N 0.402 115.020 114.554 0.106 0.000 2.788 299 T HA -0.224 4.395 4.350 0.448 0.000 0.268 299 T C 1.908 176.667 174.700 0.099 0.000 1.044 299 T CA 1.365 63.526 62.100 0.103 0.000 1.139 299 T CB -0.209 68.731 68.868 0.120 0.000 0.867 299 T HN 0.270 nan 8.240 nan 0.000 0.454 300 K N 0.525 120.919 120.400 -0.010 0.000 2.063 300 K HA -0.094 4.495 4.320 0.448 0.000 0.208 300 K C 2.323 178.788 176.600 -0.225 0.000 1.048 300 K CA 1.417 57.603 56.287 -0.168 0.000 0.928 300 K CB -0.319 31.951 32.500 -0.383 0.000 0.713 300 K HN 0.268 nan 8.250 nan 0.000 0.442 301 V N -0.163 119.549 119.914 -0.337 0.000 2.599 301 V HA -0.021 4.368 4.120 0.448 0.000 0.245 301 V C 1.540 177.408 176.094 -0.377 0.000 1.046 301 V CA 0.876 62.795 62.300 -0.635 0.000 1.065 301 V CB 0.067 31.080 31.823 -1.350 0.000 0.703 301 V HN 0.284 nan 8.190 nan 0.000 0.464 302 M N -0.839 118.636 119.600 -0.209 0.000 2.563 302 M HA 0.106 4.855 4.480 0.448 0.000 0.231 302 M C 1.674 178.137 176.300 0.272 0.000 1.136 302 M CA 0.329 55.635 55.300 0.010 0.000 1.026 302 M CB -1.295 31.309 32.600 0.006 0.000 1.597 302 M HN 0.614 nan 8.290 nan 0.000 0.495 303 Y N 2.498 122.839 120.300 0.068 0.000 2.029 303 Y HA -0.402 4.431 4.550 0.471 0.000 0.269 303 Y C 1.891 177.837 175.900 0.078 0.000 1.201 303 Y CA 2.647 60.773 58.100 0.045 0.000 1.115 303 Y CB -0.482 37.959 38.460 -0.033 0.000 0.945 303 Y HN 0.396 nan 8.280 nan 0.000 0.497 304 N N -0.996 117.897 118.700 0.322 0.000 2.223 304 N HA -0.248 4.761 4.740 0.448 0.000 0.185 304 N C 1.775 177.425 175.510 0.233 0.000 1.016 304 N CA 1.006 54.138 53.050 0.136 0.000 0.863 304 N CB -0.526 37.831 38.487 -0.218 0.000 0.983 304 N HN 0.625 nan 8.380 nan 0.000 0.429 305 W N 1.336 122.838 121.300 0.337 0.000 2.488 305 W HA 0.022 4.949 4.660 0.444 0.000 0.304 305 W C 1.548 178.093 176.519 0.043 0.000 1.175 305 W CA 0.406 57.914 57.345 0.273 0.000 1.365 305 W CB -0.630 29.060 29.460 0.385 0.000 1.131 305 W HN -0.193 nan 8.180 nan 0.000 0.520 306 V N 2.009 121.918 119.914 -0.008 0.000 2.469 306 V HA -0.261 4.127 4.120 0.448 0.000 0.251 306 V C 1.935 177.838 176.094 -0.320 0.000 1.064 306 V CA 2.225 64.416 62.300 -0.182 0.000 1.066 306 V CB -0.637 31.196 31.823 0.017 0.000 0.667 306 V HN -0.028 nan 8.190 nan 0.000 0.461 307 K N -0.767 119.427 120.400 -0.344 0.000 2.358 307 K HA 0.189 4.777 4.320 0.448 0.000 0.197 307 K C 0.574 177.010 176.600 -0.273 0.000 1.025 307 K CA -0.019 56.054 56.287 -0.356 0.000 1.104 307 K CB 0.240 32.382 32.500 -0.598 0.000 0.855 307 K HN 0.237 nan 8.250 nan 0.000 0.531 308 Q N 0.243 119.849 119.800 -0.323 0.000 2.439 308 Q HA -0.286 4.322 4.340 0.448 0.000 0.325 308 Q C 0.410 176.336 176.000 -0.122 0.000 1.372 308 Q CA 0.498 56.133 55.803 -0.281 0.000 0.909 308 Q CB -1.192 27.297 28.738 -0.416 0.000 1.167 308 Q HN 0.277 nan 8.270 nan 0.000 0.418 309 Q N -0.127 119.620 119.800 -0.088 0.000 2.020 309 Q HA -0.008 4.601 4.340 0.448 0.000 0.202 309 Q C -1.310 174.667 176.000 -0.037 0.000 0.982 309 Q CA 1.638 57.415 55.803 -0.043 0.000 0.838 309 Q CB -0.393 28.337 28.738 -0.012 0.000 0.899 309 Q HN 0.434 nan 8.270 nan 0.000 0.423 310 P HA 0.147 nan 4.420 nan 0.000 0.291 310 P C -1.236 176.058 177.300 -0.009 0.000 1.378 310 P CA -0.268 62.823 63.100 -0.015 0.000 0.853 310 P CB 1.256 32.954 31.700 -0.004 0.000 1.002 311 V N 4.633 124.547 119.914 -0.001 0.000 2.475 311 V HA -0.059 4.330 4.120 0.448 0.000 0.292 311 V C 1.675 177.767 176.094 -0.003 0.000 1.003 311 V CA 0.770 63.069 62.300 -0.002 0.000 1.120 311 V CB 0.232 32.101 31.823 0.076 0.000 0.937 311 V HN 0.510 nan 8.190 nan 0.000 0.476 312 V N 3.298 123.183 119.914 -0.049 0.000 3.477 312 V HA 0.457 4.846 4.120 0.448 0.000 0.297 312 V C 0.477 176.614 176.094 0.071 0.000 1.433 312 V CA 0.196 62.497 62.300 0.003 0.000 1.052 312 V CB -0.050 31.705 31.823 -0.113 0.000 0.895 312 V HN 0.553 nan 8.190 nan 0.000 0.438 313 I N 3.036 123.612 120.570 0.009 0.000 2.304 313 I HA 0.422 4.861 4.170 0.448 0.000 0.291 313 I C -2.356 173.815 176.117 0.090 0.000 1.018 313 I CA -2.037 59.295 61.300 0.054 0.000 1.260 313 I CB 1.538 39.499 38.000 -0.066 0.000 1.390 313 I HN 0.064 nan 8.210 nan 0.000 0.475 314 P HA 0.037 nan 4.420 nan 0.000 0.262 314 P C 0.822 178.146 177.300 0.039 0.000 1.199 314 P CA 0.637 63.768 63.100 0.053 0.000 0.763 314 P CB 0.532 32.257 31.700 0.042 0.000 0.790 315 G N 2.472 111.278 108.800 0.010 0.000 2.184 315 G HA2 -0.324 3.905 3.960 0.448 0.000 0.264 315 G HA3 -0.324 3.905 3.960 0.448 0.000 0.264 315 G C 0.009 174.973 174.900 0.107 0.000 0.975 315 G CA -0.258 44.826 45.100 -0.027 0.000 0.642 315 G HN 0.576 nan 8.290 nan 0.000 0.536 316 Y N 1.391 121.699 120.300 0.014 0.000 2.569 316 Y HA 0.459 5.278 4.550 0.448 0.000 0.332 316 Y C 1.091 177.012 175.900 0.036 0.000 1.120 316 Y CA 0.354 58.464 58.100 0.017 0.000 1.416 316 Y CB 0.818 39.252 38.460 -0.043 0.000 1.210 316 Y HN 0.106 nan 8.280 nan 0.000 0.528 317 E N 3.115 123.078 120.200 -0.395 0.000 2.501 317 E HA 0.196 4.814 4.350 0.448 0.000 0.201 317 E C 1.875 178.124 176.600 -0.584 0.000 1.016 317 E CA 0.561 56.768 56.400 -0.323 0.000 0.920 317 E CB 0.212 29.928 29.700 0.028 0.000 1.023 317 E HN 0.995 nan 8.360 nan 0.000 0.474 318 G N 0.956 108.993 108.800 -1.271 0.000 2.450 318 G HA2 -0.232 3.997 3.960 0.448 0.000 0.220 318 G HA3 -0.232 3.997 3.960 0.448 0.000 0.220 318 G C 1.371 176.043 174.900 -0.380 0.000 1.130 318 G CA 0.670 45.250 45.100 -0.865 0.000 0.760 318 G HN 0.006 nan 8.290 nan 0.000 0.557 319 K N 0.836 121.071 120.400 -0.274 0.000 2.498 319 K HA 0.169 4.758 4.320 0.448 0.000 0.207 319 K C -0.061 176.460 176.600 -0.132 0.000 1.033 319 K CA 0.006 56.227 56.287 -0.110 0.000 1.138 319 K CB 0.552 33.057 32.500 0.009 0.000 0.860 319 K HN 0.089 nan 8.250 nan 0.000 0.490 320 T N 3.176 117.611 114.554 -0.200 0.000 2.767 320 T HA 0.304 4.923 4.350 0.448 0.000 0.288 320 T C -2.566 171.962 174.700 -0.286 0.000 0.963 320 T CA -1.555 60.420 62.100 -0.208 0.000 1.019 320 T CB 1.592 70.341 68.868 -0.200 0.000 0.923 320 T HN -0.089 nan 8.240 nan 0.000 0.468 321 P HA 0.071 nan 4.420 nan 0.000 0.264 321 P C 0.916 177.803 177.300 -0.687 0.000 1.193 321 P CA -0.396 62.336 63.100 -0.613 0.000 0.763 321 P CB 0.493 31.522 31.700 -1.118 0.000 0.810 322 L N 4.878 125.783 121.223 -0.530 0.000 2.081 322 L HA -0.183 4.426 4.340 0.448 0.000 0.212 322 L C 1.599 178.265 176.870 -0.341 0.000 1.080 322 L CA 1.914 56.492 54.840 -0.438 0.000 0.754 322 L CB -1.109 40.717 42.059 -0.389 0.000 0.893 322 L HN 0.420 nan 8.230 nan 0.000 0.433 323 F N -2.540 117.294 119.950 -0.193 0.000 2.802 323 F HA 0.173 4.969 4.527 0.448 0.000 0.300 323 F C 1.557 177.314 175.800 -0.072 0.000 1.168 323 F CA 0.277 58.199 58.000 -0.129 0.000 1.433 323 F CB -1.044 37.837 39.000 -0.198 0.000 1.115 323 F HN 0.091 nan 8.300 nan 0.000 0.582 324 N N 0.438 119.009 118.700 -0.214 0.000 2.382 324 N HA 0.212 5.221 4.740 0.448 0.000 0.200 324 N C 1.754 177.204 175.510 -0.099 0.000 1.122 324 N CA 0.430 53.425 53.050 -0.091 0.000 0.870 324 N CB 0.061 38.424 38.487 -0.208 0.000 1.176 324 N HN 0.243 nan 8.380 nan 0.000 0.474 325 I N 0.260 120.689 120.570 -0.235 0.000 2.087 325 I HA -0.351 4.088 4.170 0.448 0.000 0.240 325 I C 1.352 177.318 176.117 -0.252 0.000 1.054 325 I CA 1.689 62.798 61.300 -0.318 0.000 1.311 325 I CB -0.501 37.185 38.000 -0.523 0.000 1.024 325 I HN 0.050 nan 8.210 nan 0.000 0.402 326 F N 0.672 120.635 119.950 0.022 0.000 2.325 326 F HA -0.110 4.687 4.527 0.450 0.000 0.299 326 F C 2.337 178.229 175.800 0.154 0.000 1.090 326 F CA 0.568 58.605 58.000 0.062 0.000 1.392 326 F CB -0.419 38.597 39.000 0.026 0.000 1.053 326 F HN 0.142 nan 8.300 nan 0.000 0.521 327 N N 0.560 119.449 118.700 0.315 0.000 2.396 327 N HA -0.144 4.865 4.740 0.448 0.000 0.180 327 N C 1.780 177.390 175.510 0.167 0.000 1.028 327 N CA 0.847 54.058 53.050 0.269 0.000 0.893 327 N CB -0.208 38.416 38.487 0.228 0.000 0.967 327 N HN 0.345 nan 8.380 nan 0.000 0.440 328 K N 0.734 121.205 120.400 0.119 0.000 2.116 328 K HA 0.044 4.633 4.320 0.448 0.000 0.203 328 K C 1.505 178.172 176.600 0.112 0.000 1.052 328 K CA 0.605 56.941 56.287 0.081 0.000 0.952 328 K CB 0.263 32.774 32.500 0.018 0.000 0.729 328 K HN -0.142 nan 8.250 nan 0.000 0.446 329 V N 1.270 121.263 119.914 0.132 0.000 2.871 329 V HA -0.073 4.316 4.120 0.448 0.000 0.256 329 V C 2.257 178.545 176.094 0.323 0.000 1.082 329 V CA 1.312 63.748 62.300 0.228 0.000 1.105 329 V CB -0.341 31.614 31.823 0.220 0.000 0.713 329 V HN 0.291 nan 8.190 nan 0.000 0.473 330 R N 1.055 121.627 120.500 0.119 0.000 2.090 330 R HA -0.058 4.551 4.340 0.448 0.000 0.228 330 R C 2.114 178.407 176.300 -0.010 0.000 1.110 330 R CA 1.496 57.401 56.100 -0.324 0.000 0.973 330 R CB -0.343 29.685 30.300 -0.453 0.000 0.869 330 R HN 0.410 nan 8.270 nan 0.000 0.440 331 K N 0.167 120.618 120.400 0.086 0.000 2.057 331 K HA -0.138 4.451 4.320 0.448 0.000 0.207 331 K C 1.974 178.669 176.600 0.159 0.000 1.049 331 K CA 1.934 58.286 56.287 0.108 0.000 0.931 331 K CB -0.052 32.507 32.500 0.098 0.000 0.714 331 K HN 0.333 nan 8.250 nan 0.000 0.440 332 E N -0.019 120.316 120.200 0.225 0.000 2.047 332 E HA -0.205 4.414 4.350 0.448 0.000 0.191 332 E C 1.737 178.597 176.600 0.435 0.000 0.987 332 E CA 0.803 57.389 56.400 0.310 0.000 0.799 332 E CB -0.200 29.725 29.700 0.375 0.000 0.752 332 E HN 0.452 nan 8.360 nan 0.000 0.449 333 W N 2.413 123.830 121.300 0.195 0.000 2.341 333 W HA -0.201 4.728 4.660 0.448 0.000 0.283 333 W C 0.469 177.083 176.519 0.158 0.000 1.215 333 W CA 1.381 58.819 57.345 0.156 0.000 1.211 333 W CB 0.014 29.485 29.460 0.018 0.000 1.131 333 W HN 0.070 nan 8.180 nan 0.000 0.552 334 D N 0.322 120.894 120.400 0.286 0.000 2.355 334 D HA 0.001 4.910 4.640 0.448 0.000 0.218 334 D C 2.031 178.390 176.300 0.098 0.000 1.004 334 D CA 0.620 54.722 54.000 0.170 0.000 0.880 334 D CB -0.287 40.592 40.800 0.132 0.000 0.911 334 D HN 0.275 nan 8.370 nan 0.000 0.528 335 L N -0.442 120.841 121.223 0.099 0.000 2.591 335 L HA 0.124 4.733 4.340 0.448 0.000 0.228 335 L C 0.265 177.020 176.870 -0.193 0.000 1.133 335 L CA 0.121 54.922 54.840 -0.064 0.000 0.880 335 L CB -0.021 41.951 42.059 -0.145 0.000 1.033 335 L HN -0.145 nan 8.230 nan 0.000 0.450 336 F N -0.766 119.114 119.950 -0.116 0.000 2.440 336 F HA 0.235 5.031 4.527 0.448 0.000 0.328 336 F C 1.402 177.116 175.800 -0.144 0.000 1.070 336 F CA -0.392 57.516 58.000 -0.153 0.000 1.011 336 F CB 0.902 39.747 39.000 -0.259 0.000 1.226 336 F HN -0.188 nan 8.300 nan 0.000 0.491 337 N N 0.266 119.014 118.700 0.080 0.000 2.124 337 N HA -0.099 4.910 4.740 0.448 0.000 0.188 337 N C -0.077 175.435 175.510 0.002 0.000 1.045 337 N CA 0.716 53.782 53.050 0.027 0.000 0.846 337 N CB 0.124 38.627 38.487 0.026 0.000 1.020 337 N HN 0.539 nan 8.380 nan 0.000 0.432 338 E N 1.132 121.327 120.200 -0.009 0.000 2.683 338 E HA 0.271 4.890 4.350 0.448 0.000 0.224 338 E C -2.687 173.805 176.600 -0.181 0.000 1.046 338 E CA -2.368 54.001 56.400 -0.052 0.000 0.811 338 E CB 1.107 30.811 29.700 0.006 0.000 1.296 338 E HN 0.024 nan 8.360 nan 0.000 0.421 339 P HA -0.034 nan 4.420 nan 0.000 0.266 339 P C -1.091 175.697 177.300 -0.854 0.000 1.195 339 P CA -0.026 62.445 63.100 -1.048 0.000 0.768 339 P CB 0.945 31.340 31.700 -2.175 0.000 0.838 340 V N 2.115 121.606 119.914 -0.705 0.000 2.969 340 V HA 0.659 5.048 4.120 0.448 0.000 0.304 340 V C -1.053 174.978 176.094 -0.105 0.000 1.192 340 V CA -0.691 61.452 62.300 -0.262 0.000 0.962 340 V CB 2.334 34.040 31.823 -0.196 0.000 1.045 340 V HN 0.614 nan 8.190 nan 0.000 0.428 341 A N 4.538 127.404 122.820 0.077 0.000 2.318 341 A HA 0.881 5.470 4.320 0.448 0.000 0.317 341 A C -1.162 176.445 177.584 0.039 0.000 1.159 341 A CA -0.503 51.610 52.037 0.127 0.000 0.799 341 A CB 1.646 20.716 19.000 0.117 0.000 1.194 341 A HN 0.820 nan 8.150 nan 0.000 0.479 342 V N 2.854 122.847 119.914 0.131 0.000 2.409 342 V HA 0.538 4.927 4.120 0.448 0.000 0.291 342 V C 0.496 176.700 176.094 0.183 0.000 1.020 342 V CA -0.341 62.031 62.300 0.121 0.000 0.848 342 V CB 1.446 33.384 31.823 0.191 0.000 0.990 342 V HN 1.059 nan 8.190 nan 0.000 0.430 343 S N 4.711 120.481 115.700 0.117 0.000 2.654 343 S HA 0.707 5.446 4.470 0.448 0.000 0.283 343 S C -0.630 174.178 174.600 0.347 0.000 1.180 343 S CA -0.632 57.639 58.200 0.119 0.000 1.021 343 S CB 0.996 64.231 63.200 0.059 0.000 1.018 343 S HN 0.409 nan 8.310 nan 0.000 0.532 344 F N 0.690 120.745 119.950 0.174 0.000 2.411 344 F HA 0.350 5.146 4.527 0.448 0.000 0.355 344 F C 0.336 176.222 175.800 0.142 0.000 1.117 344 F CA -0.863 57.235 58.000 0.164 0.000 1.139 344 F CB 0.968 40.075 39.000 0.178 0.000 1.120 344 F HN 0.586 nan 8.300 nan 0.000 0.493 345 D N 2.326 122.913 120.400 0.312 0.000 2.613 345 D HA 0.149 5.058 4.640 0.448 0.000 0.312 345 D C -0.267 176.159 176.300 0.211 0.000 1.202 345 D CA -0.027 54.104 54.000 0.218 0.000 0.825 345 D CB 0.820 41.708 40.800 0.147 0.000 1.113 345 D HN 0.278 nan 8.370 nan 0.000 0.502 346 T N 0.826 115.546 114.554 0.276 0.000 2.813 346 T HA 0.223 4.842 4.350 0.448 0.000 0.297 346 T C 0.272 175.113 174.700 0.235 0.000 1.036 346 T CA -0.256 62.020 62.100 0.292 0.000 1.044 346 T CB 0.718 69.896 68.868 0.517 0.000 0.993 346 T HN 0.233 nan 8.240 nan 0.000 0.535 347 K N 1.438 121.950 120.400 0.186 0.000 2.358 347 K HA 0.392 4.981 4.320 0.448 0.000 0.260 347 K C -0.539 176.149 176.600 0.145 0.000 0.956 347 K CA -0.974 55.402 56.287 0.149 0.000 0.834 347 K CB 0.669 33.231 32.500 0.105 0.000 1.102 347 K HN 0.398 nan 8.250 nan 0.000 0.431 348 N N 3.087 121.883 118.700 0.162 0.000 2.688 348 N HA -0.222 4.787 4.740 0.448 0.000 0.258 348 N C 0.385 176.003 175.510 0.180 0.000 1.016 348 N CA 0.710 53.853 53.050 0.156 0.000 0.747 348 N CB -0.588 37.956 38.487 0.094 0.000 0.895 348 N HN 0.921 nan 8.380 nan 0.000 0.543 349 W N 1.408 122.750 121.300 0.070 0.000 2.290 349 W HA -0.302 4.627 4.660 0.448 0.000 0.323 349 W C 1.301 177.860 176.519 0.067 0.000 1.260 349 W CA 2.304 59.693 57.345 0.073 0.000 1.266 349 W CB -0.371 29.143 29.460 0.089 0.000 1.149 349 W HN 0.288 nan 8.180 nan 0.000 0.482 350 D N -0.297 120.307 120.400 0.340 0.000 2.149 350 D HA -0.227 4.682 4.640 0.448 0.000 0.194 350 D C 2.270 178.604 176.300 0.057 0.000 1.001 350 D CA 3.227 57.362 54.000 0.225 0.000 0.849 350 D CB -0.896 40.039 40.800 0.224 0.000 0.939 350 D HN 0.363 nan 8.370 nan 0.000 0.449 351 T N -1.934 112.639 114.554 0.032 0.000 3.055 351 T HA -0.073 4.546 4.350 0.448 0.000 0.265 351 T C 1.432 176.085 174.700 -0.078 0.000 1.111 351 T CA 0.510 62.606 62.100 -0.007 0.000 1.118 351 T CB 0.052 68.925 68.868 0.007 0.000 0.909 351 T HN -0.003 nan 8.240 nan 0.000 0.501 352 Q N 0.999 120.698 119.800 -0.168 0.000 2.403 352 Q HA 0.272 4.881 4.340 0.448 0.000 0.203 352 Q C 0.521 176.323 176.000 -0.329 0.000 0.932 352 Q CA 0.029 55.677 55.803 -0.258 0.000 0.945 352 Q CB -0.124 28.413 28.738 -0.336 0.000 1.045 352 Q HN 0.442 nan 8.270 nan 0.000 0.511 353 V N 2.231 121.966 119.914 -0.297 0.000 2.521 353 V HA 0.068 4.457 4.120 0.448 0.000 0.286 353 V C 0.624 176.649 176.094 -0.115 0.000 1.034 353 V CA 0.391 62.560 62.300 -0.218 0.000 1.045 353 V CB 0.944 32.718 31.823 -0.082 0.000 0.974 353 V HN 0.071 nan 8.190 nan 0.000 0.480 354 T N 3.570 118.065 114.554 -0.098 0.000 2.934 354 T HA 0.179 4.798 4.350 0.448 0.000 0.283 354 T C 1.336 175.993 174.700 -0.072 0.000 1.005 354 T CA -0.258 61.799 62.100 -0.072 0.000 1.041 354 T CB 1.688 70.523 68.868 -0.055 0.000 1.042 354 T HN 0.763 nan 8.240 nan 0.000 0.505 355 S N 1.100 116.754 115.700 -0.076 0.000 2.370 355 S HA -0.125 4.614 4.470 0.448 0.000 0.226 355 S C 2.120 176.630 174.600 -0.150 0.000 1.033 355 S CA 1.343 59.492 58.200 -0.086 0.000 1.011 355 S CB -0.158 62.998 63.200 -0.073 0.000 0.852 355 S HN 0.498 nan 8.310 nan 0.000 0.457 356 R N 0.833 121.194 120.500 -0.231 0.000 2.148 356 R HA -0.022 4.587 4.340 0.448 0.000 0.227 356 R C 1.635 177.615 176.300 -0.532 0.000 1.103 356 R CA 1.218 57.026 56.100 -0.487 0.000 0.983 356 R CB -0.171 29.706 30.300 -0.705 0.000 0.874 356 R HN 0.311 nan 8.270 nan 0.000 0.451 357 D N 0.471 120.746 120.400 -0.208 0.000 2.144 357 D HA -0.103 4.806 4.640 0.448 0.000 0.200 357 D C 1.859 178.136 176.300 -0.038 0.000 0.978 357 D CA 0.993 54.989 54.000 -0.007 0.000 0.833 357 D CB -0.000 40.818 40.800 0.030 0.000 0.961 357 D HN 0.192 nan 8.370 nan 0.000 0.470 358 L N 0.537 121.720 121.223 -0.066 0.000 2.056 358 L HA -0.090 4.519 4.340 0.448 0.000 0.207 358 L C 2.538 179.348 176.870 -0.100 0.000 1.078 358 L CA 0.774 55.580 54.840 -0.056 0.000 0.749 358 L CB -0.271 41.760 42.059 -0.048 0.000 0.901 358 L HN -0.073 nan 8.230 nan 0.000 0.433 359 R N 0.212 120.630 120.500 -0.136 0.000 2.091 359 R HA -0.157 4.452 4.340 0.448 0.000 0.238 359 R C 2.199 178.409 176.300 -0.149 0.000 1.136 359 R CA 1.245 57.256 56.100 -0.148 0.000 0.959 359 R CB -0.945 29.253 30.300 -0.169 0.000 0.856 359 R HN 0.391 nan 8.270 nan 0.000 0.437 360 L N 0.538 121.679 121.223 -0.137 0.000 1.970 360 L HA -0.218 4.391 4.340 0.448 0.000 0.212 360 L C 2.165 178.936 176.870 -0.165 0.000 1.071 360 L CA 1.577 56.354 54.840 -0.104 0.000 0.751 360 L CB -0.321 41.744 42.059 0.010 0.000 0.889 360 L HN 0.057 nan 8.230 nan 0.000 0.432 361 I N 0.497 120.991 120.570 -0.128 0.000 2.315 361 I HA -0.215 4.224 4.170 0.448 0.000 0.251 361 I C 2.544 178.482 176.117 -0.298 0.000 1.125 361 I CA 1.502 62.696 61.300 -0.176 0.000 1.392 361 I CB -1.175 36.801 38.000 -0.039 0.000 1.065 361 I HN 0.290 nan 8.210 nan 0.000 0.424 362 G N -0.399 108.257 108.800 -0.239 0.000 2.408 362 G HA2 -0.165 4.064 3.960 0.448 0.000 0.217 362 G HA3 -0.165 4.064 3.960 0.448 0.000 0.217 362 G C 1.562 176.279 174.900 -0.305 0.000 1.150 362 G CA 0.300 45.241 45.100 -0.265 0.000 0.776 362 G HN 0.310 nan 8.290 nan 0.000 0.542 363 E N 0.519 120.554 120.200 -0.275 0.000 2.106 363 E HA -0.033 4.586 4.350 0.448 0.000 0.192 363 E C 2.542 178.915 176.600 -0.377 0.000 0.984 363 E CA 0.419 56.658 56.400 -0.268 0.000 0.806 363 E CB -0.177 29.404 29.700 -0.198 0.000 0.750 363 E HN 0.508 nan 8.360 nan 0.000 0.458 364 I N 1.089 121.337 120.570 -0.536 0.000 2.315 364 I HA -0.273 4.166 4.170 0.448 0.000 0.248 364 I C 2.457 178.204 176.117 -0.616 0.000 1.117 364 I CA 1.004 61.804 61.300 -0.833 0.000 1.404 364 I CB -0.170 37.237 38.000 -0.987 0.000 1.071 364 I HN 0.070 nan 8.210 nan 0.000 0.419 365 Q N 0.563 119.988 119.800 -0.625 0.000 2.170 365 Q HA -0.205 4.404 4.340 0.448 0.000 0.203 365 Q C 2.015 177.898 176.000 -0.195 0.000 0.976 365 Q CA 1.229 56.703 55.803 -0.548 0.000 0.858 365 Q CB -0.064 28.253 28.738 -0.702 0.000 0.907 365 Q HN 0.426 nan 8.270 nan 0.000 0.433 366 K N -0.338 119.884 120.400 -0.298 0.000 2.365 366 K HA -0.140 4.449 4.320 0.448 0.000 0.199 366 K C 1.642 178.210 176.600 -0.054 0.000 1.045 366 K CA 0.603 56.649 56.287 -0.402 0.000 0.962 366 K CB 0.021 32.065 32.500 -0.760 0.000 0.759 366 K HN 0.259 nan 8.250 nan 0.000 0.469 367 Y N -0.207 119.976 120.300 -0.195 0.000 2.220 367 Y HA -0.238 4.581 4.550 0.448 0.000 0.291 367 Y C 1.471 177.302 175.900 -0.115 0.000 1.129 367 Y CA 1.519 59.523 58.100 -0.160 0.000 1.161 367 Y CB -0.006 38.205 38.460 -0.416 0.000 0.997 367 Y HN 0.014 nan 8.280 nan 0.000 0.522 368 Y N -1.945 118.483 120.300 0.213 0.000 2.365 368 Y HA -0.038 4.781 4.550 0.448 0.000 0.293 368 Y C 0.320 176.156 175.900 -0.107 0.000 1.119 368 Y CA -0.151 57.898 58.100 -0.086 0.000 1.203 368 Y CB -0.217 37.887 38.460 -0.593 0.000 1.026 368 Y HN -0.068 nan 8.280 nan 0.000 0.549 369 Y N 0.917 121.322 120.300 0.175 0.000 2.300 369 Y HA 0.266 5.081 4.550 0.443 0.000 0.328 369 Y C 0.562 176.643 175.900 0.301 0.000 1.270 369 Y CA -1.245 57.022 58.100 0.279 0.000 1.352 369 Y CB 0.444 39.042 38.460 0.229 0.000 1.286 369 Y HN -0.186 nan 8.280 nan 0.000 0.536 370 R N 1.529 122.273 120.500 0.407 0.000 2.491 370 R HA 0.014 4.623 4.340 0.448 0.000 0.283 370 R C 0.924 177.204 176.300 -0.034 0.000 1.072 370 R CA -0.439 55.752 56.100 0.151 0.000 1.048 370 R CB 0.564 30.964 30.300 0.166 0.000 0.983 370 R HN 0.598 nan 8.270 nan 0.000 0.450 371 K N 2.089 122.181 120.400 -0.513 0.000 2.189 371 K HA -0.297 4.292 4.320 0.448 0.000 0.207 371 K C 1.457 177.796 176.600 -0.436 0.000 1.046 371 K CA 2.218 57.946 56.287 -0.930 0.000 0.928 371 K CB -0.325 31.775 32.500 -0.667 0.000 0.720 371 K HN 0.751 nan 8.250 nan 0.000 0.458 372 E N -0.451 119.567 120.200 -0.303 0.000 2.333 372 E HA -0.191 4.428 4.350 0.448 0.000 0.198 372 E C 0.948 177.321 176.600 -0.378 0.000 1.007 372 E CA 1.020 57.193 56.400 -0.379 0.000 0.845 372 E CB -0.325 29.056 29.700 -0.531 0.000 0.766 372 E HN 0.629 nan 8.360 nan 0.000 0.507 373 W N -0.090 121.233 121.300 0.038 0.000 3.008 373 W HA 0.302 5.225 4.660 0.437 0.000 0.355 373 W C 1.684 178.319 176.519 0.194 0.000 1.095 373 W CA -0.549 56.852 57.345 0.094 0.000 1.738 373 W CB 0.246 29.753 29.460 0.078 0.000 1.091 373 W HN 0.140 nan 8.180 nan 0.000 0.574 374 H N 0.174 119.346 119.070 0.170 0.000 2.387 374 H HA -0.149 4.675 4.556 0.447 0.000 0.299 374 H C 2.029 177.409 175.328 0.087 0.000 1.090 374 H CA 1.153 57.255 56.048 0.090 0.000 1.332 374 H CB 0.327 30.096 29.762 0.011 0.000 1.386 374 H HN -0.064 nan 8.280 nan 0.000 0.516 375 K N 1.274 121.804 120.400 0.218 0.000 2.057 375 K HA -0.133 4.456 4.320 0.448 0.000 0.206 375 K C 1.954 178.645 176.600 0.152 0.000 1.050 375 K CA 1.010 57.374 56.287 0.128 0.000 0.935 375 K CB -0.646 31.903 32.500 0.081 0.000 0.715 375 K HN 0.196 nan 8.250 nan 0.000 0.439 376 F N 0.612 120.621 119.950 0.098 0.000 2.095 376 F HA -0.174 4.624 4.527 0.451 0.000 0.298 376 F C 1.686 177.481 175.800 -0.009 0.000 1.104 376 F CA 1.653 59.709 58.000 0.093 0.000 1.232 376 F CB -0.084 39.069 39.000 0.254 0.000 0.987 376 F HN -0.022 nan 8.300 nan 0.000 0.475 377 I N 0.357 121.127 120.570 0.333 0.000 2.179 377 I HA -0.301 4.138 4.170 0.448 0.000 0.242 377 I C 2.042 178.116 176.117 -0.071 0.000 1.088 377 I CA 1.535 62.887 61.300 0.087 0.000 1.357 377 I CB -0.704 37.277 38.000 -0.031 0.000 1.051 377 I HN 0.149 nan 8.210 nan 0.000 0.409 378 D N 0.634 121.001 120.400 -0.054 0.000 2.104 378 D HA -0.148 4.761 4.640 0.448 0.000 0.194 378 D C 2.183 178.389 176.300 -0.155 0.000 0.994 378 D CA 1.775 55.716 54.000 -0.098 0.000 0.830 378 D CB -0.457 40.307 40.800 -0.060 0.000 0.959 378 D HN 0.302 nan 8.370 nan 0.000 0.452 379 T N 1.307 115.756 114.554 -0.174 0.000 2.622 379 T HA -0.166 4.453 4.350 0.448 0.000 0.266 379 T C 2.092 176.571 174.700 -0.369 0.000 1.047 379 T CA 0.667 62.598 62.100 -0.281 0.000 1.159 379 T CB -0.401 68.313 68.868 -0.256 0.000 0.863 379 T HN 0.040 nan 8.240 nan 0.000 0.422 380 I N 1.192 121.541 120.570 -0.368 0.000 2.264 380 I HA -0.168 4.271 4.170 0.448 0.000 0.248 380 I C 2.396 178.343 176.117 -0.283 0.000 1.111 380 I CA 1.463 62.549 61.300 -0.357 0.000 1.382 380 I CB -0.595 37.121 38.000 -0.473 0.000 1.060 380 I HN 0.200 nan 8.210 nan 0.000 0.418 381 T N -0.439 113.979 114.554 -0.227 0.000 2.821 381 T HA -0.187 4.432 4.350 0.448 0.000 0.267 381 T C 1.581 176.181 174.700 -0.168 0.000 1.046 381 T CA 1.650 63.646 62.100 -0.173 0.000 1.139 381 T CB -0.359 68.419 68.868 -0.149 0.000 0.871 381 T HN 0.408 nan 8.240 nan 0.000 0.454 382 D N 0.238 120.508 120.400 -0.217 0.000 2.144 382 D HA -0.122 4.787 4.640 0.448 0.000 0.199 382 D C 2.007 178.195 176.300 -0.187 0.000 0.984 382 D CA 0.916 54.792 54.000 -0.206 0.000 0.834 382 D CB -0.030 40.605 40.800 -0.276 0.000 0.955 382 D HN 0.394 nan 8.370 nan 0.000 0.465 383 H N -0.721 118.201 119.070 -0.247 0.000 2.389 383 H HA 0.036 4.860 4.556 0.447 0.000 0.299 383 H C 2.002 177.239 175.328 -0.152 0.000 1.081 383 H CA 0.844 56.748 56.048 -0.240 0.000 1.345 383 H CB -0.157 29.305 29.762 -0.499 0.000 1.393 383 H HN 0.316 nan 8.280 nan 0.000 0.520 384 M N -0.302 119.238 119.600 -0.101 0.000 2.374 384 M HA -0.090 4.659 4.480 0.448 0.000 0.264 384 M C 2.263 178.583 176.300 0.032 0.000 1.067 384 M CA 0.468 55.747 55.300 -0.036 0.000 1.103 384 M CB 0.195 32.747 32.600 -0.080 0.000 1.402 384 M HN -0.040 nan 8.290 nan 0.000 0.444 385 V N -0.186 119.739 119.914 0.019 0.000 2.759 385 V HA -0.114 4.275 4.120 0.448 0.000 0.256 385 V C 0.741 176.867 176.094 0.053 0.000 1.080 385 V CA 1.178 63.489 62.300 0.019 0.000 1.101 385 V CB -0.306 31.515 31.823 -0.002 0.000 0.698 385 V HN 0.402 nan 8.190 nan 0.000 0.477 386 E N -0.257 120.006 120.200 0.106 0.000 2.378 386 E HA 0.365 4.984 4.350 0.448 0.000 0.282 386 E C -1.799 174.907 176.600 0.176 0.000 0.910 386 E CA -0.152 56.315 56.400 0.111 0.000 0.816 386 E CB 2.003 31.759 29.700 0.093 0.000 1.359 386 E HN 0.074 nan 8.360 nan 0.000 0.397 387 V N 4.959 124.960 119.914 0.145 0.000 2.459 387 V HA 0.435 4.824 4.120 0.448 0.000 0.295 387 V C -2.381 173.730 176.094 0.028 0.000 1.029 387 V CA -2.097 60.309 62.300 0.177 0.000 0.874 387 V CB 1.793 33.747 31.823 0.218 0.000 0.985 387 V HN 0.578 nan 8.190 nan 0.000 0.438 388 P HA 0.323 nan 4.420 nan 0.000 0.287 388 P C -0.885 176.300 177.300 -0.193 0.000 1.294 388 P CA -0.099 62.924 63.100 -0.128 0.000 0.776 388 P CB 0.941 32.554 31.700 -0.146 0.000 0.889 389 V N 5.570 125.224 119.914 -0.433 0.000 2.581 389 V HA 0.459 4.848 4.120 0.448 0.000 0.303 389 V C 0.269 176.061 176.094 -0.504 0.000 1.041 389 V CA -0.554 61.411 62.300 -0.559 0.000 0.907 389 V CB 1.817 32.987 31.823 -1.088 0.000 0.994 389 V HN 0.378 nan 8.190 nan 0.000 0.442 390 I N 3.392 123.773 120.570 -0.316 0.000 2.439 390 I HA 0.304 4.742 4.170 0.448 0.000 0.283 390 I C 0.529 176.489 176.117 -0.262 0.000 1.023 390 I CA -0.409 60.671 61.300 -0.366 0.000 1.100 390 I CB 2.151 39.811 38.000 -0.567 0.000 1.238 390 I HN 0.767 nan 8.210 nan 0.000 0.445 391 T N 2.444 116.950 114.554 -0.080 0.000 2.926 391 T HA 0.230 4.849 4.350 0.448 0.000 0.307 391 T C 1.393 176.155 174.700 0.103 0.000 1.059 391 T CA -0.018 62.195 62.100 0.189 0.000 1.122 391 T CB 1.648 70.754 68.868 0.397 0.000 0.972 391 T HN 0.685 nan 8.240 nan 0.000 0.545 392 A N 2.323 125.264 122.820 0.202 0.000 2.093 392 A HA -0.122 4.467 4.320 0.448 0.000 0.222 392 A C 1.826 179.568 177.584 0.262 0.000 1.162 392 A CA 1.727 53.900 52.037 0.227 0.000 0.655 392 A CB -0.733 18.306 19.000 0.065 0.000 0.805 392 A HN 1.006 nan 8.150 nan 0.000 0.461 393 D N -2.372 118.162 120.400 0.224 0.000 2.460 393 D HA 0.299 5.208 4.640 0.448 0.000 0.229 393 D C 1.071 177.472 176.300 0.168 0.000 1.170 393 D CA 0.667 54.785 54.000 0.196 0.000 0.827 393 D CB -0.446 40.458 40.800 0.174 0.000 0.973 393 D HN 0.658 nan 8.370 nan 0.000 0.496 394 G N 0.874 109.729 108.800 0.092 0.000 2.245 394 G HA2 -0.351 3.877 3.960 0.448 0.000 0.264 394 G HA3 -0.351 3.877 3.960 0.448 0.000 0.264 394 G C 0.263 175.097 174.900 -0.111 0.000 0.985 394 G CA 0.452 45.510 45.100 -0.071 0.000 0.625 394 G HN 0.543 nan 8.290 nan 0.000 0.536 395 E N 0.224 120.422 120.200 -0.003 0.000 2.413 395 E HA 0.478 5.097 4.350 0.448 0.000 0.263 395 E C 0.055 176.621 176.600 -0.056 0.000 1.015 395 E CA -0.020 56.373 56.400 -0.012 0.000 0.916 395 E CB 1.005 30.698 29.700 -0.012 0.000 0.947 395 E HN 0.381 nan 8.360 nan 0.000 0.440 396 V N 6.484 126.362 119.914 -0.059 0.000 2.444 396 V HA 0.404 4.793 4.120 0.448 0.000 0.294 396 V C -0.998 175.090 176.094 -0.009 0.000 1.022 396 V CA -0.651 61.585 62.300 -0.105 0.000 0.850 396 V CB 0.445 32.162 31.823 -0.177 0.000 0.992 396 V HN 0.644 nan 8.190 nan 0.000 0.426 397 Y N 4.039 124.255 120.300 -0.141 0.000 2.570 397 Y HA 0.798 5.617 4.550 0.449 0.000 0.345 397 Y C -0.764 175.076 175.900 -0.099 0.000 1.014 397 Y CA -1.635 56.393 58.100 -0.120 0.000 1.063 397 Y CB 1.592 39.979 38.460 -0.123 0.000 1.272 397 Y HN 0.304 nan 8.280 nan 0.000 0.477 398 I N 3.683 124.277 120.570 0.039 0.000 2.337 398 I HA 0.339 4.778 4.170 0.448 0.000 0.285 398 I C 0.045 176.204 176.117 0.070 0.000 1.041 398 I CA -0.486 60.798 61.300 -0.027 0.000 1.199 398 I CB 0.850 38.831 38.000 -0.033 0.000 1.370 398 I HN 0.761 nan 8.210 nan 0.000 0.470 399 R N 5.193 125.726 120.500 0.055 0.000 2.543 399 R HA 0.136 4.745 4.340 0.448 0.000 0.277 399 R C 0.009 176.352 176.300 0.071 0.000 1.074 399 R CA -0.108 56.067 56.100 0.124 0.000 1.076 399 R CB 0.705 31.081 30.300 0.126 0.000 0.993 399 R HN 0.543 nan 8.270 nan 0.000 0.459 400 N N 2.857 121.593 118.700 0.059 0.000 2.558 400 N HA 0.132 5.141 4.740 0.448 0.000 0.242 400 N C -0.943 174.581 175.510 0.023 0.000 0.979 400 N CA 0.371 53.440 53.050 0.033 0.000 0.931 400 N CB 1.337 39.833 38.487 0.015 0.000 1.122 400 N HN 0.926 nan 8.380 nan 0.000 0.508 401 G N 2.667 111.483 108.800 0.027 0.000 2.269 401 G HA2 -0.244 3.985 3.960 0.448 0.000 0.237 401 G HA3 -0.244 3.985 3.960 0.448 0.000 0.237 401 G C -0.301 174.605 174.900 0.009 0.000 0.761 401 G CA 0.394 45.501 45.100 0.012 0.000 1.141 401 G HN 0.680 nan 8.290 nan 0.000 0.319 402 Q N -0.855 118.965 119.800 0.034 0.000 2.943 402 Q HA 0.708 5.317 4.340 0.448 0.000 0.341 402 Q C -0.160 175.883 176.000 0.071 0.000 0.858 402 Q CA -1.257 54.567 55.803 0.035 0.000 0.804 402 Q CB 1.302 30.070 28.738 0.050 0.000 1.399 402 Q HN 0.476 nan 8.270 nan 0.000 0.511 403 R N -0.392 120.167 120.500 0.098 0.000 2.480 403 R HA 0.583 5.192 4.340 0.448 0.000 0.306 403 R C -1.052 175.338 176.300 0.151 0.000 0.958 403 R CA -0.150 56.035 56.100 0.142 0.000 0.861 403 R CB 1.493 31.913 30.300 0.201 0.000 1.171 403 R HN 0.646 nan 8.270 nan 0.000 0.445 404 G N 1.756 110.646 108.800 0.151 0.000 2.319 404 G HA2 0.216 4.445 3.960 0.448 0.000 0.308 404 G HA3 0.216 4.445 3.960 0.448 0.000 0.308 404 G C 0.687 175.685 174.900 0.163 0.000 1.117 404 G CA -0.135 45.056 45.100 0.150 0.000 0.903 404 G HN 0.848 nan 8.290 nan 0.000 0.436 405 S N 1.995 117.794 115.700 0.165 0.000 2.423 405 S HA -0.150 4.589 4.470 0.448 0.000 0.238 405 S C 2.336 177.027 174.600 0.151 0.000 1.028 405 S CA 1.467 59.760 58.200 0.154 0.000 1.000 405 S CB -0.298 62.990 63.200 0.147 0.000 0.797 405 S HN 0.762 nan 8.310 nan 0.000 0.487 406 G N 0.886 109.800 108.800 0.191 0.000 2.484 406 G HA2 0.010 4.239 3.960 0.448 0.000 0.218 406 G HA3 0.010 4.239 3.960 0.448 0.000 0.218 406 G C 0.558 175.560 174.900 0.171 0.000 1.130 406 G CA -0.244 44.978 45.100 0.204 0.000 0.784 406 G HN 0.601 nan 8.290 nan 0.000 0.543 407 Q N 0.540 120.442 119.800 0.170 0.000 2.269 407 Q HA 0.034 4.643 4.340 0.448 0.000 0.300 407 Q C -1.564 174.513 176.000 0.128 0.000 1.070 407 Q CA -1.033 54.867 55.803 0.161 0.000 0.957 407 Q CB 1.021 29.856 28.738 0.162 0.000 1.131 407 Q HN 0.128 nan 8.270 nan 0.000 0.377 408 P HA -0.170 nan 4.420 nan 0.000 0.219 408 P C 0.375 177.724 177.300 0.082 0.000 1.146 408 P CA 1.214 64.366 63.100 0.087 0.000 0.808 408 P CB 0.257 32.013 31.700 0.094 0.000 0.779 409 D N -2.301 118.172 120.400 0.122 0.000 2.328 409 D HA -0.021 4.888 4.640 0.448 0.000 0.221 409 D C 1.336 177.719 176.300 0.137 0.000 1.072 409 D CA 0.507 54.602 54.000 0.158 0.000 0.850 409 D CB -0.509 40.425 40.800 0.223 0.000 0.922 409 D HN -0.055 nan 8.370 nan 0.000 0.516 410 T N -1.313 113.309 114.554 0.114 0.000 2.607 410 T HA -0.223 4.396 4.350 0.448 0.000 0.267 410 T C 1.889 176.640 174.700 0.086 0.000 1.049 410 T CA 1.761 63.933 62.100 0.120 0.000 1.162 410 T CB -0.498 68.438 68.868 0.113 0.000 0.863 410 T HN 0.183 nan 8.240 nan 0.000 0.424 411 S N 0.927 116.652 115.700 0.040 0.000 2.343 411 S HA -0.091 4.648 4.470 0.448 0.000 0.219 411 S C 2.401 176.965 174.600 -0.060 0.000 1.033 411 S CA 1.581 59.792 58.200 0.019 0.000 1.014 411 S CB -0.684 62.536 63.200 0.033 0.000 0.915 411 S HN 0.505 nan 8.310 nan 0.000 0.435 412 A N 0.765 123.455 122.820 -0.215 0.000 1.898 412 A HA 0.186 4.775 4.320 0.448 0.000 0.216 412 A C 2.395 179.909 177.584 -0.116 0.000 1.181 412 A CA 1.765 53.512 52.037 -0.483 0.000 0.620 412 A CB -1.696 16.744 19.000 -0.932 0.000 0.819 412 A HN 0.674 nan 8.150 nan 0.000 0.442 413 G N 0.091 108.974 108.800 0.139 0.000 2.421 413 G HA2 -0.272 3.957 3.960 0.448 0.000 0.216 413 G HA3 -0.272 3.957 3.960 0.448 0.000 0.216 413 G C 1.399 176.441 174.900 0.236 0.000 1.171 413 G CA 1.069 46.344 45.100 0.293 0.000 0.775 413 G HN 0.524 nan 8.290 nan 0.000 0.543 414 N N 0.786 119.592 118.700 0.177 0.000 2.244 414 N HA -0.048 4.961 4.740 0.448 0.000 0.183 414 N C 2.521 178.032 175.510 0.002 0.000 1.016 414 N CA 1.106 54.248 53.050 0.153 0.000 0.866 414 N CB -0.254 38.203 38.487 -0.050 0.000 0.980 414 N HN 0.217 nan 8.380 nan 0.000 0.430 415 S N 1.011 116.716 115.700 0.007 0.000 2.356 415 S HA -0.113 4.626 4.470 0.448 0.000 0.223 415 S C 1.920 176.573 174.600 0.089 0.000 1.032 415 S CA 1.030 59.253 58.200 0.039 0.000 1.005 415 S CB -0.157 63.090 63.200 0.079 0.000 0.867 415 S HN 0.253 nan 8.310 nan 0.000 0.449 416 M N 1.380 121.048 119.600 0.113 0.000 2.132 416 M HA 0.086 4.835 4.480 0.448 0.000 0.263 416 M C 1.777 178.201 176.300 0.206 0.000 1.065 416 M CA 1.263 56.677 55.300 0.191 0.000 1.122 416 M CB -0.646 32.149 32.600 0.325 0.000 1.365 416 M HN 0.256 nan 8.290 nan 0.000 0.411 417 L N 0.539 121.909 121.223 0.245 0.000 2.201 417 L HA -0.106 4.503 4.340 0.448 0.000 0.212 417 L C 1.933 179.022 176.870 0.365 0.000 1.105 417 L CA 1.754 56.777 54.840 0.304 0.000 0.775 417 L CB -1.128 41.179 42.059 0.413 0.000 0.913 417 L HN 0.492 nan 8.230 nan 0.000 0.440 418 N N -1.442 117.412 118.700 0.258 0.000 2.376 418 N HA -0.096 4.913 4.740 0.448 0.000 0.177 418 N C 1.646 177.223 175.510 0.111 0.000 1.024 418 N CA 1.186 54.334 53.050 0.163 0.000 0.893 418 N CB 0.088 38.455 38.487 -0.201 0.000 0.980 418 N HN 0.205 nan 8.380 nan 0.000 0.439 419 V N 0.776 120.771 119.914 0.135 0.000 2.346 419 V HA -0.081 4.308 4.120 0.448 0.000 0.244 419 V C 2.324 178.482 176.094 0.106 0.000 1.037 419 V CA 0.991 63.366 62.300 0.126 0.000 1.029 419 V CB -0.445 31.463 31.823 0.142 0.000 0.663 419 V HN 0.283 nan 8.190 nan 0.000 0.454 420 L N -0.117 121.180 121.223 0.123 0.000 2.017 420 L HA -0.191 4.418 4.340 0.448 0.000 0.208 420 L C 2.629 179.546 176.870 0.078 0.000 1.073 420 L CA 2.093 56.992 54.840 0.099 0.000 0.745 420 L CB -1.022 41.095 42.059 0.097 0.000 0.894 420 L HN 0.367 nan 8.230 nan 0.000 0.432 421 T N -0.766 113.841 114.554 0.088 0.000 2.821 421 T HA -0.143 4.476 4.350 0.448 0.000 0.267 421 T C 1.931 176.693 174.700 0.104 0.000 1.046 421 T CA 1.083 63.236 62.100 0.088 0.000 1.139 421 T CB -0.054 68.890 68.868 0.127 0.000 0.871 421 T HN 0.100 nan 8.240 nan 0.000 0.454 422 M N 0.539 120.133 119.600 -0.010 0.000 2.156 422 M HA 0.220 4.969 4.480 0.448 0.000 0.264 422 M C 2.262 178.538 176.300 -0.040 0.000 1.067 422 M CA 1.171 56.399 55.300 -0.121 0.000 1.131 422 M CB -1.121 31.156 32.600 -0.539 0.000 1.368 422 M HN 0.279 nan 8.290 nan 0.000 0.416 423 M N -1.428 118.200 119.600 0.048 0.000 2.108 423 M HA -0.257 4.492 4.480 0.448 0.000 0.261 423 M C 2.283 178.658 176.300 0.125 0.000 1.066 423 M CA 1.815 57.216 55.300 0.167 0.000 1.107 423 M CB -0.726 32.007 32.600 0.221 0.000 1.356 423 M HN 0.215 nan 8.290 nan 0.000 0.406 424 Y N 0.925 121.168 120.300 -0.094 0.000 2.114 424 Y HA -0.235 4.584 4.550 0.448 0.000 0.284 424 Y C 2.379 178.205 175.900 -0.124 0.000 1.143 424 Y CA 1.855 59.807 58.100 -0.245 0.000 1.135 424 Y CB -0.599 37.710 38.460 -0.252 0.000 0.980 424 Y HN 0.151 nan 8.280 nan 0.000 0.499 425 A N 0.072 122.857 122.820 -0.059 0.000 1.940 425 A HA -0.216 4.373 4.320 0.448 0.000 0.219 425 A C 2.227 179.691 177.584 -0.201 0.000 1.176 425 A CA 1.644 53.638 52.037 -0.073 0.000 0.631 425 A CB -1.613 17.542 19.000 0.258 0.000 0.814 425 A HN 0.687 nan 8.150 nan 0.000 0.446 426 F N 0.464 120.040 119.950 -0.623 0.000 2.075 426 F HA -0.249 4.547 4.527 0.449 0.000 0.297 426 F C 2.502 178.081 175.800 -0.369 0.000 1.113 426 F CA 1.949 59.373 58.000 -0.961 0.000 1.218 426 F CB -0.713 37.698 39.000 -0.982 0.000 0.984 426 F HN 0.294 nan 8.300 nan 0.000 0.472 427 C N 0.163 119.413 119.300 -0.084 0.000 2.425 427 C HA -0.144 4.585 4.460 0.448 0.000 0.277 427 C C 2.558 177.495 174.990 -0.087 0.000 1.280 427 C CA 1.255 60.284 59.018 0.018 0.000 1.744 427 C CB -1.151 26.836 27.740 0.411 0.000 1.989 427 C HN 0.498 nan 8.230 nan 0.000 0.491 428 E N 0.879 120.961 120.200 -0.196 0.000 2.409 428 E HA -0.075 4.544 4.350 0.448 0.000 0.198 428 E C 2.122 178.631 176.600 -0.152 0.000 1.024 428 E CA 0.788 57.063 56.400 -0.208 0.000 0.861 428 E CB -0.037 29.349 29.700 -0.524 0.000 0.788 428 E HN 0.578 nan 8.360 nan 0.000 0.521 429 S N -1.761 113.827 115.700 -0.187 0.000 2.468 429 S HA -0.033 4.706 4.470 0.448 0.000 0.226 429 S C 1.873 176.371 174.600 -0.170 0.000 1.051 429 S CA 0.892 59.022 58.200 -0.116 0.000 0.943 429 S CB 0.180 63.394 63.200 0.024 0.000 0.810 429 S HN 0.537 nan 8.310 nan 0.000 0.509 430 T N -1.665 112.693 114.554 -0.327 0.000 3.044 430 T HA 0.407 5.026 4.350 0.448 0.000 0.255 430 T C 1.603 176.206 174.700 -0.163 0.000 1.073 430 T CA 1.098 63.022 62.100 -0.293 0.000 1.125 430 T CB 0.108 68.651 68.868 -0.542 0.000 0.908 430 T HN 0.561 nan 8.240 nan 0.000 0.480 431 G N 0.766 109.485 108.800 -0.136 0.000 2.179 431 G HA2 -0.189 4.040 3.960 0.448 0.000 0.220 431 G HA3 -0.189 4.040 3.960 0.448 0.000 0.220 431 G C 0.047 174.929 174.900 -0.029 0.000 0.990 431 G CA -0.193 44.868 45.100 -0.064 0.000 0.646 431 G HN 0.699 nan 8.290 nan 0.000 0.517 432 V N 2.187 122.091 119.914 -0.017 0.000 2.673 432 V HA 0.332 4.721 4.120 0.448 0.000 0.303 432 V C -1.439 174.729 176.094 0.123 0.000 1.046 432 V CA -0.624 61.731 62.300 0.092 0.000 1.126 432 V CB 0.920 32.873 31.823 0.217 0.000 0.934 432 V HN 0.178 nan 8.190 nan 0.000 0.487 433 P HA 0.141 nan 4.420 nan 0.000 0.271 433 P C -0.228 177.125 177.300 0.087 0.000 1.233 433 P CA -0.145 62.946 63.100 -0.016 0.000 0.764 433 P CB 0.112 31.787 31.700 -0.041 0.000 0.825 434 Y N 1.421 121.752 120.300 0.052 0.000 2.680 434 Y HA -0.049 4.770 4.550 0.448 0.000 0.303 434 Y C 1.834 177.685 175.900 -0.081 0.000 1.166 434 Y CA 0.279 58.384 58.100 0.009 0.000 1.344 434 Y CB -0.991 37.494 38.460 0.041 0.000 1.002 434 Y HN 0.138 nan 8.280 nan 0.000 0.537 435 K N 1.021 121.402 120.400 -0.033 0.000 2.032 435 K HA -0.096 4.493 4.320 0.448 0.000 0.209 435 K C 0.378 176.934 176.600 -0.074 0.000 1.048 435 K CA 1.414 57.664 56.287 -0.060 0.000 0.927 435 K CB -0.282 32.166 32.500 -0.086 0.000 0.712 435 K HN 0.233 nan 8.250 nan 0.000 0.441 436 S N -0.266 115.390 115.700 -0.073 0.000 2.486 436 S HA 0.215 4.954 4.470 0.448 0.000 0.184 436 S C -0.632 173.962 174.600 -0.011 0.000 0.774 436 S CA -0.980 57.149 58.200 -0.118 0.000 0.995 436 S CB -0.884 62.272 63.200 -0.072 0.000 1.427 436 S HN 0.184 nan 8.310 nan 0.000 0.398 437 F N 2.235 122.217 119.950 0.055 0.000 2.348 437 F HA 0.672 5.468 4.527 0.448 0.000 0.308 437 F C 0.567 176.378 175.800 0.018 0.000 1.175 437 F CA -0.937 57.096 58.000 0.055 0.000 1.080 437 F CB 0.450 39.510 39.000 0.100 0.000 1.341 437 F HN 0.402 nan 8.300 nan 0.000 0.518 438 N N -0.841 117.950 118.700 0.151 0.000 2.457 438 N HA 0.446 5.455 4.740 0.448 0.000 0.290 438 N C -0.765 174.740 175.510 -0.009 0.000 1.232 438 N CA -1.018 52.099 53.050 0.112 0.000 0.852 438 N CB 1.038 39.566 38.487 0.067 0.000 1.313 438 N HN 0.620 nan 8.380 nan 0.000 0.522 439 R N -0.968 119.477 120.500 -0.090 0.000 3.892 439 R HA -0.155 4.454 4.340 0.448 0.000 0.441 439 R C 0.401 176.515 176.300 -0.311 0.000 1.052 439 R CA 0.629 56.476 56.100 -0.422 0.000 1.190 439 R CB -2.208 27.885 30.300 -0.345 0.000 1.808 439 R HN 0.454 nan 8.270 nan 0.000 0.538 440 V N -1.168 118.734 119.914 -0.020 0.000 3.048 440 V HA 0.634 5.023 4.120 0.448 0.000 0.241 440 V C 0.253 176.376 176.094 0.049 0.000 1.129 440 V CA 1.433 63.770 62.300 0.062 0.000 1.128 440 V CB 1.031 32.894 31.823 0.066 0.000 0.849 440 V HN 0.428 nan 8.190 nan 0.000 0.475 441 A N 0.874 123.621 122.820 -0.121 0.000 2.532 441 A HA 0.812 5.401 4.320 0.448 0.000 0.296 441 A C -1.293 176.157 177.584 -0.223 0.000 1.058 441 A CA -0.750 51.066 52.037 -0.368 0.000 0.729 441 A CB 1.229 19.500 19.000 -1.215 0.000 1.285 441 A HN 0.206 nan 8.150 nan 0.000 0.396 442 R N 1.974 122.395 120.500 -0.133 0.000 2.480 442 R HA 0.606 5.215 4.340 0.448 0.000 0.306 442 R C -1.122 174.963 176.300 -0.359 0.000 0.958 442 R CA -0.399 55.605 56.100 -0.160 0.000 0.861 442 R CB 1.410 31.715 30.300 0.009 0.000 1.171 442 R HN 0.702 nan 8.270 nan 0.000 0.445 443 I N 3.510 123.821 120.570 -0.432 0.000 2.412 443 I HA 0.335 4.774 4.170 0.448 0.000 0.296 443 I C -0.069 175.598 176.117 -0.750 0.000 0.987 443 I CA -0.692 60.349 61.300 -0.432 0.000 1.180 443 I CB 1.487 39.432 38.000 -0.091 0.000 1.340 443 I HN 0.317 nan 8.210 nan 0.000 0.455 444 H N 5.323 124.011 119.070 -0.635 0.000 2.689 444 H HA 0.560 5.385 4.556 0.448 0.000 0.346 444 H C -0.887 174.208 175.328 -0.388 0.000 1.037 444 H CA -0.486 55.172 56.048 -0.649 0.000 1.234 444 H CB 2.291 31.311 29.762 -1.237 0.000 1.572 444 H HN 0.384 nan 8.280 nan 0.000 0.524 445 V N -0.206 119.761 119.914 0.088 0.000 3.102 445 V HA 0.627 5.016 4.120 0.448 0.000 0.312 445 V C -0.315 175.925 176.094 0.243 0.000 1.135 445 V CA -0.864 61.579 62.300 0.239 0.000 1.022 445 V CB 2.227 34.183 31.823 0.222 0.000 1.056 445 V HN 0.855 nan 8.190 nan 0.000 0.436 446 C N 2.831 122.214 119.300 0.139 0.000 3.296 446 C HA 0.768 5.497 4.460 0.448 0.000 0.317 446 C C 0.923 175.890 174.990 -0.039 0.000 1.040 446 C CA 0.965 59.955 59.018 -0.046 0.000 1.352 446 C CB -0.685 26.882 27.740 -0.289 0.000 1.797 446 C HN 2.513 nan 8.230 nan 0.000 0.552 447 G N 5.667 114.472 108.800 0.009 0.000 2.523 447 G HA2 -0.259 3.970 3.960 0.448 0.000 0.271 447 G HA3 -0.259 3.970 3.960 0.448 0.000 0.271 447 G C 0.605 175.332 174.900 -0.289 0.000 1.146 447 G CA 0.935 45.963 45.100 -0.120 0.000 0.961 447 G HN 0.897 nan 8.290 nan 0.000 0.549 448 D N 1.057 121.233 120.400 -0.373 0.000 2.346 448 D HA 0.093 5.002 4.640 0.448 0.000 0.206 448 D C 0.660 176.934 176.300 -0.043 0.000 1.001 448 D CA 0.872 54.598 54.000 -0.456 0.000 0.871 448 D CB -0.264 40.259 40.800 -0.462 0.000 0.943 448 D HN 0.493 nan 8.370 nan 0.000 0.518 449 D N 0.339 120.738 120.400 -0.001 0.000 2.382 449 D HA 0.400 5.309 4.640 0.448 0.000 0.245 449 D C 0.235 176.647 176.300 0.187 0.000 1.120 449 D CA 0.672 54.723 54.000 0.085 0.000 0.890 449 D CB 1.272 42.063 40.800 -0.014 0.000 1.201 449 D HN 0.290 nan 8.370 nan 0.000 0.433 450 G N 1.227 110.125 108.800 0.165 0.000 2.316 450 G HA2 0.424 4.653 3.960 0.448 0.000 0.296 450 G HA3 0.424 4.653 3.960 0.448 0.000 0.296 450 G C -1.536 172.930 174.900 -0.724 0.000 1.399 450 G CA -0.509 44.530 45.100 -0.102 0.000 0.833 450 G HN 0.502 nan 8.290 nan 0.000 0.565 451 F N -1.602 117.699 119.950 -1.081 0.000 2.789 451 F HA 0.908 5.704 4.527 0.448 0.000 0.319 451 F C -1.519 173.943 175.800 -0.564 0.000 1.168 451 F CA -1.538 55.914 58.000 -0.913 0.000 0.934 451 F CB 1.944 40.719 39.000 -0.374 0.000 1.375 451 F HN 0.700 nan 8.300 nan 0.000 0.480 452 L N 2.474 123.689 121.223 -0.012 0.000 2.436 452 L HA 0.718 5.327 4.340 0.448 0.000 0.268 452 L C -1.785 175.138 176.870 0.088 0.000 0.974 452 L CA -0.688 54.158 54.840 0.010 0.000 0.826 452 L CB 1.875 44.066 42.059 0.220 0.000 1.291 452 L HN 0.746 nan 8.230 nan 0.000 0.406 453 I N 3.787 124.330 120.570 -0.045 0.000 2.498 453 I HA 0.679 5.118 4.170 0.448 0.000 0.301 453 I C 0.101 175.903 176.117 -0.526 0.000 0.984 453 I CA -0.287 60.889 61.300 -0.207 0.000 1.204 453 I CB 1.985 39.871 38.000 -0.189 0.000 1.362 453 I HN 0.723 nan 8.210 nan 0.000 0.471 454 T N 2.808 116.925 114.554 -0.728 0.000 2.676 454 T HA 0.130 4.749 4.350 0.448 0.000 0.308 454 T C -1.465 173.027 174.700 -0.347 0.000 1.740 454 T CA -0.769 61.025 62.100 -0.509 0.000 0.982 454 T CB 1.157 69.962 68.868 -0.105 0.000 1.724 454 T HN 0.491 nan 8.240 nan 0.000 0.497 455 E N 1.900 122.117 120.200 0.028 0.000 2.413 455 E HA 0.129 4.748 4.350 0.448 0.000 0.263 455 E C 1.038 177.646 176.600 0.014 0.000 1.015 455 E CA -0.081 56.350 56.400 0.052 0.000 0.916 455 E CB 1.027 30.806 29.700 0.132 0.000 0.947 455 E HN 0.681 nan 8.360 nan 0.000 0.440 456 K N 2.316 122.715 120.400 -0.001 0.000 2.059 456 K HA -0.225 4.364 4.320 0.448 0.000 0.212 456 K C 1.810 178.447 176.600 0.062 0.000 1.050 456 K CA 1.935 58.241 56.287 0.032 0.000 0.927 456 K CB -0.428 32.112 32.500 0.067 0.000 0.714 456 K HN 0.626 nan 8.250 nan 0.000 0.447 457 G N 1.019 109.855 108.800 0.061 0.000 2.446 457 G HA2 -0.248 3.981 3.960 0.448 0.000 0.217 457 G HA3 -0.248 3.981 3.960 0.448 0.000 0.217 457 G C 1.474 176.411 174.900 0.061 0.000 1.168 457 G CA 1.074 46.209 45.100 0.058 0.000 0.771 457 G HN 0.267 nan 8.290 nan 0.000 0.551 458 L N 0.677 121.949 121.223 0.080 0.000 2.156 458 L HA 0.106 4.715 4.340 0.448 0.000 0.208 458 L C 3.126 180.096 176.870 0.167 0.000 1.095 458 L CA 0.733 55.626 54.840 0.088 0.000 0.770 458 L CB -0.468 41.686 42.059 0.158 0.000 0.914 458 L HN 0.324 nan 8.230 nan 0.000 0.439 459 G N -0.113 108.797 108.800 0.183 0.000 2.408 459 G HA2 -0.189 4.040 3.960 0.448 0.000 0.217 459 G HA3 -0.189 4.040 3.960 0.448 0.000 0.217 459 G C 1.463 176.454 174.900 0.152 0.000 1.150 459 G CA 0.244 45.476 45.100 0.221 0.000 0.776 459 G HN 0.108 nan 8.290 nan 0.000 0.542 460 L N 0.292 121.570 121.223 0.092 0.000 2.217 460 L HA 0.205 4.814 4.340 0.448 0.000 0.211 460 L C 2.534 179.439 176.870 0.060 0.000 1.107 460 L CA 1.228 56.107 54.840 0.066 0.000 0.783 460 L CB -0.489 41.617 42.059 0.078 0.000 0.919 460 L HN 0.195 nan 8.230 nan 0.000 0.442 461 K N -1.368 119.074 120.400 0.069 0.000 2.062 461 K HA -0.170 4.419 4.320 0.448 0.000 0.205 461 K C 2.125 178.776 176.600 0.084 0.000 1.051 461 K CA 0.896 57.208 56.287 0.042 0.000 0.941 461 K CB -0.142 32.356 32.500 -0.003 0.000 0.719 461 K HN 0.132 nan 8.250 nan 0.000 0.440 462 F N 1.290 121.201 119.950 -0.065 0.000 2.259 462 F HA 0.052 4.848 4.527 0.448 0.000 0.298 462 F C 1.754 177.574 175.800 0.034 0.000 1.088 462 F CA 0.917 58.894 58.000 -0.040 0.000 1.358 462 F CB -0.594 38.450 39.000 0.072 0.000 1.040 462 F HN 0.024 nan 8.300 nan 0.000 0.505 463 A N 0.238 123.006 122.820 -0.086 0.000 1.969 463 A HA -0.149 4.439 4.320 0.448 0.000 0.218 463 A C 2.024 179.547 177.584 -0.101 0.000 1.169 463 A CA 1.699 53.629 52.037 -0.178 0.000 0.635 463 A CB -0.687 18.268 19.000 -0.074 0.000 0.810 463 A HN 0.438 nan 8.150 nan 0.000 0.445 464 N N 0.134 118.816 118.700 -0.031 0.000 2.333 464 N HA -0.037 4.972 4.740 0.448 0.000 0.178 464 N C 0.907 176.413 175.510 -0.005 0.000 1.018 464 N CA 1.004 54.047 53.050 -0.012 0.000 0.882 464 N CB -0.189 38.302 38.487 0.007 0.000 0.984 464 N HN 0.467 nan 8.380 nan 0.000 0.434 465 N N -0.370 118.340 118.700 0.017 0.000 2.282 465 N HA 0.095 5.104 4.740 0.448 0.000 0.185 465 N C 1.646 177.196 175.510 0.067 0.000 1.099 465 N CA 0.304 53.376 53.050 0.037 0.000 0.878 465 N CB -0.112 38.398 38.487 0.038 0.000 0.993 465 N HN 0.149 nan 8.380 nan 0.000 0.481 466 G N 2.027 110.861 108.800 0.055 0.000 2.514 466 G HA2 -0.268 3.961 3.960 0.448 0.000 0.217 466 G HA3 -0.268 3.961 3.960 0.448 0.000 0.217 466 G C 1.549 176.497 174.900 0.079 0.000 1.198 466 G CA 0.792 45.943 45.100 0.084 0.000 0.780 466 G HN 0.167 nan 8.290 nan 0.000 0.565 467 M N -0.265 119.346 119.600 0.019 0.000 2.073 467 M HA -0.180 4.569 4.480 0.448 0.000 0.258 467 M C 2.746 179.100 176.300 0.090 0.000 1.070 467 M CA 1.912 57.242 55.300 0.051 0.000 1.103 467 M CB -0.528 32.081 32.600 0.016 0.000 1.321 467 M HN 0.324 nan 8.290 nan 0.000 0.405 468 Q N 0.577 120.414 119.800 0.061 0.000 2.135 468 Q HA -0.185 4.424 4.340 0.448 0.000 0.204 468 Q C 1.868 177.951 176.000 0.138 0.000 0.981 468 Q CA 1.512 57.358 55.803 0.072 0.000 0.856 468 Q CB -0.122 28.639 28.738 0.038 0.000 0.902 468 Q HN 0.576 nan 8.270 nan 0.000 0.425 469 I N 0.187 120.834 120.570 0.128 0.000 2.252 469 I HA -0.295 4.144 4.170 0.448 0.000 0.245 469 I C 2.184 178.418 176.117 0.195 0.000 1.102 469 I CA 0.781 62.175 61.300 0.156 0.000 1.385 469 I CB -0.221 37.850 38.000 0.119 0.000 1.064 469 I HN 0.211 nan 8.210 nan 0.000 0.414 470 L N -0.028 121.306 121.223 0.185 0.000 2.046 470 L HA -0.265 4.344 4.340 0.448 0.000 0.208 470 L C 2.802 179.749 176.870 0.128 0.000 1.077 470 L CA 1.404 56.343 54.840 0.164 0.000 0.747 470 L CB -0.899 41.254 42.059 0.157 0.000 0.896 470 L HN 0.395 nan 8.230 nan 0.000 0.432 471 H N 0.861 119.964 119.070 0.054 0.000 2.319 471 H HA -0.194 4.631 4.556 0.448 0.000 0.299 471 H C 1.899 177.241 175.328 0.023 0.000 1.092 471 H CA 2.096 58.162 56.048 0.031 0.000 1.302 471 H CB 0.212 29.992 29.762 0.030 0.000 1.373 471 H HN 0.451 nan 8.280 nan 0.000 0.497 472 E N 0.021 120.295 120.200 0.123 0.000 2.268 472 E HA -0.061 4.558 4.350 0.448 0.000 0.195 472 E C 2.023 178.613 176.600 -0.017 0.000 0.995 472 E CA 0.553 56.983 56.400 0.051 0.000 0.836 472 E CB 0.054 29.825 29.700 0.118 0.000 0.763 472 E HN 0.486 nan 8.360 nan 0.000 0.491 473 A N 0.405 123.223 122.820 -0.003 0.000 2.218 473 A HA 0.277 4.866 4.320 0.448 0.000 0.209 473 A C 1.668 179.174 177.584 -0.130 0.000 1.168 473 A CA 0.711 52.700 52.037 -0.079 0.000 0.804 473 A CB -0.093 18.883 19.000 -0.039 0.000 0.834 473 A HN 0.303 nan 8.150 nan 0.000 0.482 474 G N -0.829 107.886 108.800 -0.141 0.000 2.130 474 G HA2 -0.160 4.069 3.960 0.448 0.000 0.216 474 G HA3 -0.160 4.069 3.960 0.448 0.000 0.216 474 G C -0.080 174.704 174.900 -0.194 0.000 0.999 474 G CA 0.240 45.234 45.100 -0.177 0.000 0.686 474 G HN 0.270 nan 8.290 nan 0.000 0.515 475 K N 0.438 120.757 120.400 -0.135 0.000 2.954 475 K HA 0.322 4.911 4.320 0.448 0.000 0.171 475 K C -2.865 173.746 176.600 0.017 0.000 1.079 475 K CA -1.687 54.530 56.287 -0.116 0.000 0.908 475 K CB 1.818 34.267 32.500 -0.086 0.000 1.142 475 K HN 0.166 nan 8.250 nan 0.000 0.613 476 P HA -0.033 nan 4.420 nan 0.000 0.260 476 P C -0.027 177.349 177.300 0.128 0.000 1.185 476 P CA 0.302 63.471 63.100 0.114 0.000 0.763 476 P CB 0.536 32.298 31.700 0.104 0.000 0.776 477 Q N 2.599 122.481 119.800 0.138 0.000 2.312 477 Q HA 0.213 4.822 4.340 0.448 0.000 0.236 477 Q C 0.310 176.373 176.000 0.105 0.000 0.965 477 Q CA -0.350 55.530 55.803 0.128 0.000 0.894 477 Q CB 0.754 29.557 28.738 0.108 0.000 1.225 477 Q HN 0.387 nan 8.270 nan 0.000 0.478 478 K N 0.962 121.422 120.400 0.099 0.000 2.382 478 K HA 0.105 4.693 4.320 0.448 0.000 0.275 478 K C 0.048 176.682 176.600 0.056 0.000 1.009 478 K CA -0.332 56.002 56.287 0.077 0.000 0.970 478 K CB 0.220 32.766 32.500 0.076 0.000 0.934 478 K HN 0.338 nan 8.250 nan 0.000 0.479 479 I N 1.832 122.428 120.570 0.045 0.000 2.948 479 I HA -0.136 4.303 4.170 0.448 0.000 0.303 479 I C 0.835 176.966 176.117 0.024 0.000 1.224 479 I CA 1.368 62.685 61.300 0.028 0.000 1.442 479 I CB 0.132 38.146 38.000 0.022 0.000 1.328 479 I HN 0.520 nan 8.210 nan 0.000 0.578 480 T N 4.064 118.627 114.554 0.015 0.000 2.889 480 T HA 0.245 4.864 4.350 0.448 0.000 0.315 480 T C -0.970 173.734 174.700 0.007 0.000 1.291 480 T CA -0.692 61.416 62.100 0.013 0.000 1.028 480 T CB 1.396 70.273 68.868 0.015 0.000 1.235 480 T HN 0.542 nan 8.240 nan 0.000 0.491 481 E N 0.811 121.016 120.200 0.009 0.000 2.351 481 E HA 0.434 5.053 4.350 0.448 0.000 0.266 481 E C 1.274 177.877 176.600 0.005 0.000 1.031 481 E CA 1.627 58.031 56.400 0.007 0.000 0.911 481 E CB -0.137 29.569 29.700 0.009 0.000 0.986 481 E HN 0.943 nan 8.360 nan 0.000 0.446 482 G N 4.268 113.069 108.800 0.002 0.000 2.189 482 G HA2 -0.401 3.828 3.960 0.448 0.000 0.267 482 G HA3 -0.401 3.828 3.960 0.448 0.000 0.267 482 G C -0.058 174.840 174.900 -0.004 0.000 0.975 482 G CA 0.326 45.426 45.100 0.001 0.000 0.644 482 G HN 0.749 nan 8.290 nan 0.000 0.537 483 E N -0.942 119.255 120.200 -0.005 0.000 2.230 483 E HA -0.221 4.398 4.350 0.448 0.000 0.206 483 E C 0.461 177.053 176.600 -0.013 0.000 1.309 483 E CA 1.085 57.479 56.400 -0.010 0.000 0.697 483 E CB -0.860 28.829 29.700 -0.019 0.000 1.146 483 E HN 0.814 nan 8.360 nan 0.000 0.363 484 R N 0.076 120.569 120.500 -0.012 0.000 2.778 484 R HA 0.568 5.177 4.340 0.448 0.000 0.277 484 R C 0.386 176.666 176.300 -0.033 0.000 0.977 484 R CA -0.976 55.109 56.100 -0.025 0.000 0.950 484 R CB 1.224 31.518 30.300 -0.009 0.000 1.165 484 R HN 0.052 nan 8.270 nan 0.000 0.474 485 M N 2.421 121.976 119.600 -0.075 0.000 2.242 485 M HA 0.186 4.935 4.480 0.448 0.000 0.344 485 M C 0.241 176.514 176.300 -0.044 0.000 1.140 485 M CA -0.012 55.244 55.300 -0.074 0.000 1.160 485 M CB 0.718 33.208 32.600 -0.185 0.000 1.491 485 M HN 0.343 nan 8.290 nan 0.000 0.459 486 K N 1.134 121.526 120.400 -0.013 0.000 2.401 486 K HA 0.435 5.024 4.320 0.448 0.000 0.278 486 K C -1.102 175.472 176.600 -0.044 0.000 1.018 486 K CA -0.560 55.719 56.287 -0.014 0.000 0.981 486 K CB 0.330 32.829 32.500 -0.002 0.000 0.933 486 K HN 0.391 nan 8.250 nan 0.000 0.477 487 V N 1.613 121.483 119.914 -0.075 0.000 2.540 487 V HA 0.521 4.910 4.120 0.448 0.000 0.302 487 V C -0.443 175.499 176.094 -0.253 0.000 1.035 487 V CA -1.002 61.184 62.300 -0.190 0.000 0.873 487 V CB 1.583 33.223 31.823 -0.305 0.000 0.992 487 V HN 0.971 nan 8.190 nan 0.000 0.428 488 A N 3.128 125.800 122.820 -0.247 0.000 2.276 488 A HA 0.709 5.297 4.320 0.448 0.000 0.316 488 A C -0.380 177.106 177.584 -0.164 0.000 1.229 488 A CA -0.276 51.661 52.037 -0.166 0.000 0.851 488 A CB 0.407 19.303 19.000 -0.173 0.000 1.165 488 A HN 0.839 nan 8.150 nan 0.000 0.513 489 Y N 1.405 121.767 120.300 0.103 0.000 2.509 489 Y HA 0.177 4.996 4.550 0.449 0.000 0.270 489 Y C 1.251 177.311 175.900 0.267 0.000 1.103 489 Y CA 0.623 58.830 58.100 0.178 0.000 1.278 489 Y CB 0.373 38.892 38.460 0.100 0.000 1.087 489 Y HN 0.546 nan 8.280 nan 0.000 0.542 490 R N -0.407 120.235 120.500 0.236 0.000 2.562 490 R HA 0.185 4.794 4.340 0.448 0.000 0.298 490 R C 0.278 176.412 176.300 -0.276 0.000 0.961 490 R CA -0.637 55.519 56.100 0.093 0.000 0.881 490 R CB 1.031 31.355 30.300 0.040 0.000 1.159 490 R HN 0.108 nan 8.270 nan 0.000 0.450 491 F N 2.368 121.833 119.950 -0.808 0.000 2.095 491 F HA -0.219 4.577 4.527 0.448 0.000 0.298 491 F C 1.655 176.968 175.800 -0.812 0.000 1.104 491 F CA 1.814 59.007 58.000 -1.345 0.000 1.232 491 F CB 0.331 38.386 39.000 -1.574 0.000 0.987 491 F HN 0.600 nan 8.300 nan 0.000 0.475 492 E N 0.392 120.334 120.200 -0.429 0.000 2.273 492 E HA -0.220 4.399 4.350 0.448 0.000 0.198 492 E C 1.402 177.718 176.600 -0.474 0.000 1.002 492 E CA 1.586 57.746 56.400 -0.399 0.000 0.828 492 E CB -0.413 29.199 29.700 -0.147 0.000 0.747 492 E HN 0.509 nan 8.360 nan 0.000 0.491 493 D N -0.783 119.358 120.400 -0.432 0.000 2.348 493 D HA 0.075 4.984 4.640 0.448 0.000 0.211 493 D C 0.270 176.306 176.300 -0.440 0.000 0.998 493 D CA 0.016 53.808 54.000 -0.347 0.000 0.873 493 D CB 0.162 40.844 40.800 -0.196 0.000 0.925 493 D HN 0.176 nan 8.370 nan 0.000 0.524 494 I N 1.326 121.492 120.570 -0.673 0.000 2.932 494 I HA -0.091 4.348 4.170 0.448 0.000 0.295 494 I C 0.624 176.420 176.117 -0.536 0.000 1.227 494 I CA 0.865 61.732 61.300 -0.722 0.000 1.429 494 I CB 0.432 37.772 38.000 -1.101 0.000 1.339 494 I HN -0.111 nan 8.210 nan 0.000 0.589 495 E N 5.019 125.001 120.200 -0.364 0.000 2.224 495 E HA 0.507 5.125 4.350 0.448 0.000 0.265 495 E C -1.491 175.161 176.600 0.086 0.000 0.878 495 E CA -0.570 55.752 56.400 -0.129 0.000 0.759 495 E CB 2.274 31.918 29.700 -0.095 0.000 1.164 495 E HN 0.329 nan 8.360 nan 0.000 0.414 496 F N 2.320 122.285 119.950 0.025 0.000 2.635 496 F HA 0.205 5.001 4.527 0.448 0.000 0.314 496 F C -0.690 175.175 175.800 0.109 0.000 1.119 496 F CA -0.984 57.073 58.000 0.095 0.000 1.000 496 F CB 0.958 40.065 39.000 0.178 0.000 1.278 496 F HN 0.641 nan 8.300 nan 0.000 0.446 497 C N 4.295 123.240 119.300 -0.592 0.000 4.028 497 C HA -0.141 4.588 4.460 0.448 0.000 0.300 497 C C 1.250 176.223 174.990 -0.029 0.000 1.399 497 C CA 1.277 60.015 59.018 -0.467 0.000 2.051 497 C CB -3.152 24.152 27.740 -0.727 0.000 1.318 497 C HN 1.285 nan 8.230 nan 0.000 0.696 498 S N -2.060 113.629 115.700 -0.018 0.000 3.382 498 S HA -0.191 4.548 4.470 0.448 0.000 0.293 498 S C 0.105 174.627 174.600 -0.130 0.000 1.262 498 S CA 1.749 59.928 58.200 -0.035 0.000 0.969 498 S CB -1.141 62.039 63.200 -0.034 0.000 1.136 498 S HN 0.939 nan 8.310 nan 0.000 0.635 499 H N -0.783 118.305 119.070 0.030 0.000 2.908 499 H HA 0.752 5.577 4.556 0.448 0.000 0.350 499 H C 0.037 175.437 175.328 0.120 0.000 1.217 499 H CA -0.195 55.924 56.048 0.119 0.000 1.168 499 H CB 2.197 32.087 29.762 0.214 0.000 1.891 499 H HN 0.216 nan 8.280 nan 0.000 0.566 500 T N 1.001 115.631 114.554 0.127 0.000 2.889 500 T HA 0.310 4.929 4.350 0.448 0.000 0.315 500 T C -2.926 171.365 174.700 -0.682 0.000 1.291 500 T CA -1.620 60.276 62.100 -0.340 0.000 1.028 500 T CB 1.706 70.381 68.868 -0.322 0.000 1.235 500 T HN 0.204 nan 8.240 nan 0.000 0.491 501 P HA 0.395 nan 4.420 nan 0.000 0.271 501 P C -1.288 175.771 177.300 -0.402 0.000 1.216 501 P CA -0.336 62.145 63.100 -1.032 0.000 0.771 501 P CB 0.675 31.544 31.700 -1.384 0.000 0.864 502 V N 5.815 125.607 119.914 -0.204 0.000 2.483 502 V HA 0.389 4.778 4.120 0.448 0.000 0.297 502 V C -2.345 173.660 176.094 -0.149 0.000 1.027 502 V CA -2.168 59.950 62.300 -0.304 0.000 0.855 502 V CB 2.011 33.359 31.823 -0.791 0.000 0.995 502 V HN 0.470 nan 8.190 nan 0.000 0.424 503 P HA 0.440 nan 4.420 nan 0.000 0.280 503 P C -0.947 176.163 177.300 -0.317 0.000 1.244 503 P CA -0.217 62.604 63.100 -0.465 0.000 0.784 503 P CB 1.381 32.881 31.700 -0.334 0.000 0.913 504 V N 3.892 123.588 119.914 -0.363 0.000 2.876 504 V HA 0.544 4.933 4.120 0.448 0.000 0.312 504 V C 0.009 175.827 176.094 -0.460 0.000 1.085 504 V CA -0.787 61.287 62.300 -0.377 0.000 0.945 504 V CB 2.456 34.009 31.823 -0.450 0.000 1.017 504 V HN 0.451 nan 8.190 nan 0.000 0.428 505 R N 1.759 121.974 120.500 -0.474 0.000 2.480 505 R HA 0.500 5.108 4.340 0.448 0.000 0.306 505 R C -1.641 174.382 176.300 -0.462 0.000 0.958 505 R CA -0.457 55.427 56.100 -0.360 0.000 0.861 505 R CB 1.294 31.500 30.300 -0.156 0.000 1.171 505 R HN 0.692 nan 8.270 nan 0.000 0.445 506 W N 1.680 122.988 121.300 0.012 0.000 2.298 506 W HA 0.183 5.112 4.660 0.448 0.000 0.358 506 W C 1.726 178.256 176.519 0.019 0.000 1.241 506 W CA -0.340 57.019 57.345 0.024 0.000 1.385 506 W CB 0.929 30.405 29.460 0.025 0.000 1.225 506 W HN 0.705 nan 8.180 nan 0.000 0.654 507 S N -0.130 115.728 115.700 0.264 0.000 2.402 507 S HA -0.303 4.436 4.470 0.448 0.000 0.233 507 S C 1.079 175.753 174.600 0.123 0.000 1.030 507 S CA 1.823 60.112 58.200 0.149 0.000 1.003 507 S CB -0.626 62.654 63.200 0.132 0.000 0.813 507 S HN 0.641 nan 8.310 nan 0.000 0.477 508 D N 0.527 121.017 120.400 0.150 0.000 2.324 508 D HA 0.105 5.014 4.640 0.448 0.000 0.235 508 D C 0.284 176.643 176.300 0.098 0.000 1.095 508 D CA 0.191 54.251 54.000 0.101 0.000 0.871 508 D CB -1.125 39.723 40.800 0.079 0.000 0.906 508 D HN 0.437 nan 8.370 nan 0.000 0.522 509 N N -1.117 117.652 118.700 0.114 0.000 2.936 509 N HA -0.179 4.830 4.740 0.448 0.000 0.236 509 N C -0.468 175.103 175.510 0.101 0.000 0.930 509 N CA 1.440 54.541 53.050 0.086 0.000 0.966 509 N CB -1.755 36.764 38.487 0.053 0.000 1.090 509 N HN 0.596 nan 8.380 nan 0.000 0.592 510 T N -2.771 111.880 114.554 0.162 0.000 2.868 510 T HA 0.647 5.266 4.350 0.448 0.000 0.292 510 T C 0.582 175.417 174.700 0.224 0.000 1.028 510 T CA -0.350 61.853 62.100 0.172 0.000 1.059 510 T CB 1.627 70.599 68.868 0.173 0.000 0.991 510 T HN 0.083 nan 8.240 nan 0.000 0.531 511 S N 0.700 116.489 115.700 0.148 0.000 2.747 511 S HA 0.869 5.608 4.470 0.448 0.000 0.300 511 S C -0.177 174.503 174.600 0.134 0.000 1.121 511 S CA -0.698 57.536 58.200 0.057 0.000 0.995 511 S CB 1.461 64.630 63.200 -0.052 0.000 1.113 511 S HN 1.304 nan 8.310 nan 0.000 0.547 512 S N -0.339 115.353 115.700 -0.014 0.000 2.645 512 S HA 0.581 5.320 4.470 0.448 0.000 0.268 512 S C -2.328 172.159 174.600 -0.188 0.000 1.110 512 S CA -0.787 57.464 58.200 0.084 0.000 0.823 512 S CB 0.067 63.543 63.200 0.459 0.000 1.091 512 S HN 0.555 nan 8.310 nan 0.000 0.466 513 Y N 0.534 120.943 120.300 0.181 0.000 2.549 513 Y HA 0.826 5.645 4.550 0.448 0.000 0.339 513 Y C 0.530 176.547 175.900 0.195 0.000 1.053 513 Y CA -0.786 57.408 58.100 0.157 0.000 1.105 513 Y CB 2.160 40.755 38.460 0.226 0.000 1.258 513 Y HN 0.727 nan 8.280 nan 0.000 0.478 514 M N 0.879 120.655 119.600 0.294 0.000 2.716 514 M HA 0.683 5.432 4.480 0.448 0.000 0.278 514 M C -1.209 175.234 176.300 0.238 0.000 1.281 514 M CA -1.252 54.204 55.300 0.259 0.000 0.814 514 M CB 2.274 35.024 32.600 0.249 0.000 1.719 514 M HN 0.650 nan 8.290 nan 0.000 0.457 515 A N 0.862 123.853 122.820 0.285 0.000 2.269 515 A HA 0.710 5.299 4.320 0.448 0.000 0.302 515 A C 0.065 177.870 177.584 0.368 0.000 1.266 515 A CA -0.361 51.911 52.037 0.391 0.000 0.894 515 A CB -0.105 19.026 19.000 0.217 0.000 1.147 515 A HN 0.861 nan 8.150 nan 0.000 0.537 516 G N 1.396 110.251 108.800 0.092 0.000 2.389 516 G HA2 0.611 4.840 3.960 0.448 0.000 0.328 516 G HA3 0.611 4.840 3.960 0.448 0.000 0.328 516 G C -0.246 174.699 174.900 0.075 0.000 1.133 516 G CA -0.560 44.439 45.100 -0.169 0.000 0.891 516 G HN 0.847 nan 8.290 nan 0.000 0.485 517 R N 0.012 120.571 120.500 0.097 0.000 2.781 517 R HA 0.235 4.844 4.340 0.448 0.000 0.269 517 R C -1.553 174.723 176.300 -0.039 0.000 1.025 517 R CA -0.835 55.208 56.100 -0.095 0.000 0.914 517 R CB 2.000 32.160 30.300 -0.233 0.000 1.236 517 R HN 0.501 nan 8.270 nan 0.000 0.465 518 D N 0.963 121.301 120.400 -0.103 0.000 2.358 518 D HA 0.039 4.948 4.640 0.448 0.000 0.258 518 D C 0.610 176.839 176.300 -0.119 0.000 1.223 518 D CA 0.534 54.478 54.000 -0.094 0.000 0.886 518 D CB 1.619 42.355 40.800 -0.107 0.000 1.120 518 D HN 0.424 nan 8.370 nan 0.000 0.482 519 T N 2.540 117.023 114.554 -0.119 0.000 2.721 519 T HA -0.254 4.365 4.350 0.448 0.000 0.268 519 T C 1.806 176.374 174.700 -0.220 0.000 1.038 519 T CA 1.696 63.677 62.100 -0.198 0.000 1.145 519 T CB -0.009 68.704 68.868 -0.258 0.000 0.858 519 T HN 0.566 nan 8.240 nan 0.000 0.459 520 A N 1.011 123.701 122.820 -0.217 0.000 1.873 520 A HA -0.126 4.463 4.320 0.448 0.000 0.218 520 A C 2.630 180.133 177.584 -0.136 0.000 1.193 520 A CA 1.974 53.896 52.037 -0.192 0.000 0.629 520 A CB -1.155 17.745 19.000 -0.167 0.000 0.826 520 A HN 0.386 nan 8.150 nan 0.000 0.447 521 V N 0.349 120.194 119.914 -0.114 0.000 2.343 521 V HA -0.275 4.114 4.120 0.448 0.000 0.247 521 V C 2.431 178.494 176.094 -0.051 0.000 1.051 521 V CA 1.950 64.206 62.300 -0.073 0.000 1.036 521 V CB -0.776 31.003 31.823 -0.073 0.000 0.654 521 V HN 0.574 nan 8.190 nan 0.000 0.451 522 I N -0.256 120.251 120.570 -0.104 0.000 2.194 522 I HA -0.295 4.143 4.170 0.448 0.000 0.246 522 I C 2.366 178.481 176.117 -0.004 0.000 1.093 522 I CA 1.707 62.974 61.300 -0.055 0.000 1.355 522 I CB -0.422 37.390 38.000 -0.313 0.000 1.046 522 I HN 0.286 nan 8.210 nan 0.000 0.413 523 L N -0.194 120.962 121.223 -0.112 0.000 2.017 523 L HA -0.225 4.384 4.340 0.448 0.000 0.208 523 L C 2.797 179.584 176.870 -0.138 0.000 1.073 523 L CA 1.537 56.287 54.840 -0.150 0.000 0.745 523 L CB -0.788 41.172 42.059 -0.165 0.000 0.894 523 L HN 0.262 nan 8.230 nan 0.000 0.432 524 S N 0.120 115.765 115.700 -0.091 0.000 2.359 524 S HA -0.209 4.530 4.470 0.448 0.000 0.222 524 S C 2.095 176.680 174.600 -0.026 0.000 1.038 524 S CA 1.462 59.625 58.200 -0.062 0.000 1.051 524 S CB -0.085 63.099 63.200 -0.027 0.000 0.944 524 S HN 0.271 nan 8.310 nan 0.000 0.433 525 K N 0.773 121.204 120.400 0.052 0.000 2.152 525 K HA -0.102 4.487 4.320 0.448 0.000 0.206 525 K C 2.163 178.806 176.600 0.071 0.000 1.048 525 K CA 1.357 57.735 56.287 0.152 0.000 0.933 525 K CB -0.554 32.138 32.500 0.320 0.000 0.721 525 K HN 0.578 nan 8.250 nan 0.000 0.447 526 M N -0.073 119.419 119.600 -0.180 0.000 2.476 526 M HA -0.063 4.686 4.480 0.448 0.000 0.262 526 M C 1.724 177.810 176.300 -0.357 0.000 1.079 526 M CA 1.039 55.957 55.300 -0.637 0.000 1.104 526 M CB 0.114 32.158 32.600 -0.926 0.000 1.409 526 M HN 0.118 nan 8.290 nan 0.000 0.467 527 A N -0.566 122.112 122.820 -0.238 0.000 1.944 527 A HA 0.128 4.717 4.320 0.448 0.000 0.209 527 A C 1.081 178.586 177.584 -0.131 0.000 1.328 527 A CA 0.719 52.606 52.037 -0.250 0.000 0.693 527 A CB -0.569 18.186 19.000 -0.408 0.000 0.994 527 A HN 0.444 nan 8.150 nan 0.000 0.485 528 T N 1.051 115.568 114.554 -0.062 0.000 3.474 528 T HA 0.377 4.996 4.350 0.448 0.000 0.270 528 T C -0.016 174.758 174.700 0.124 0.000 1.079 528 T CA 0.005 62.184 62.100 0.131 0.000 1.110 528 T CB -0.169 68.800 68.868 0.168 0.000 1.087 528 T HN 0.165 nan 8.240 nan 0.000 0.784 529 R N 3.398 123.985 120.500 0.145 0.000 3.436 529 R HA 0.342 4.951 4.340 0.448 0.000 0.247 529 R C 0.568 176.961 176.300 0.154 0.000 1.434 529 R CA -0.818 55.387 56.100 0.176 0.000 1.543 529 R CB -0.751 29.698 30.300 0.248 0.000 1.289 529 R HN 0.712 nan 8.270 nan 0.000 0.664 538 T N -0.345 114.260 114.554 0.084 0.000 2.881 538 T HA 0.573 5.191 4.350 0.448 0.000 0.278 538 T C 1.587 176.376 174.700 0.148 0.000 0.982 538 T CA -0.796 61.362 62.100 0.096 0.000 0.989 538 T CB 1.668 70.578 68.868 0.070 0.000 1.058 538 T HN 0.183 nan 8.240 nan 0.000 0.529 539 I N 0.585 121.211 120.570 0.093 0.000 2.500 539 I HA 0.012 4.451 4.170 0.448 0.000 0.252 539 I C 2.798 178.964 176.117 0.082 0.000 1.142 539 I CA 0.886 62.233 61.300 0.079 0.000 1.451 539 I CB -0.555 37.473 38.000 0.047 0.000 1.093 539 I HN 0.864 nan 8.210 nan 0.000 0.430 540 A N -0.392 122.476 122.820 0.080 0.000 2.216 540 A HA -0.226 4.363 4.320 0.448 0.000 0.214 540 A C 2.014 179.656 177.584 0.096 0.000 1.160 540 A CA 1.142 53.214 52.037 0.059 0.000 0.725 540 A CB -0.572 18.448 19.000 0.034 0.000 0.784 540 A HN 0.593 nan 8.150 nan 0.000 0.472 541 Y N -0.385 119.925 120.300 0.018 0.000 2.500 541 Y HA 0.197 5.015 4.550 0.447 0.000 0.284 541 Y C 1.820 177.760 175.900 0.066 0.000 1.118 541 Y CA 1.008 59.127 58.100 0.032 0.000 1.241 541 Y CB 0.232 38.706 38.460 0.022 0.000 1.171 541 Y HN 0.360 nan 8.280 nan 0.000 0.540 542 E N 0.287 120.478 120.200 -0.015 0.000 2.427 542 E HA -0.094 4.524 4.350 0.448 0.000 0.196 542 E C 1.498 178.073 176.600 -0.042 0.000 1.028 542 E CA 0.534 56.887 56.400 -0.080 0.000 0.864 542 E CB 0.093 29.815 29.700 0.036 0.000 0.813 542 E HN 0.457 nan 8.360 nan 0.000 0.514 543 K N 0.041 120.454 120.400 0.020 0.000 2.361 543 K HA 0.091 4.680 4.320 0.448 0.000 0.196 543 K C 1.813 178.540 176.600 0.211 0.000 1.039 543 K CA 0.526 56.884 56.287 0.119 0.000 1.001 543 K CB 0.376 32.965 32.500 0.149 0.000 0.795 543 K HN -0.014 nan 8.250 nan 0.000 0.495 544 A N 0.541 123.413 122.820 0.087 0.000 1.984 544 A HA -0.001 4.588 4.320 0.448 0.000 0.214 544 A C 2.124 179.810 177.584 0.169 0.000 1.173 544 A CA 0.526 52.666 52.037 0.171 0.000 0.673 544 A CB -0.110 18.919 19.000 0.048 0.000 0.830 544 A HN 0.016 nan 8.150 nan 0.000 0.453 545 V N 0.009 119.890 119.914 -0.056 0.000 2.427 545 V HA -0.192 4.197 4.120 0.448 0.000 0.248 545 V C 3.009 179.213 176.094 0.183 0.000 1.051 545 V CA 1.819 64.129 62.300 0.017 0.000 1.048 545 V CB -0.948 30.757 31.823 -0.197 0.000 0.666 545 V HN 0.571 nan 8.190 nan 0.000 0.456 546 A N -0.531 122.356 122.820 0.111 0.000 1.930 546 A HA -0.202 4.387 4.320 0.448 0.000 0.217 546 A C 2.088 179.812 177.584 0.233 0.000 1.175 546 A CA 1.815 53.928 52.037 0.127 0.000 0.627 546 A CB -0.625 18.420 19.000 0.076 0.000 0.815 546 A HN 0.522 nan 8.150 nan 0.000 0.443 547 F N 1.455 121.509 119.950 0.174 0.000 2.113 547 F HA -0.116 4.679 4.527 0.447 0.000 0.297 547 F C 2.517 178.433 175.800 0.194 0.000 1.103 547 F CA 1.725 59.835 58.000 0.182 0.000 1.248 547 F CB -0.553 38.643 39.000 0.327 0.000 0.999 547 F HN 0.195 nan 8.300 nan 0.000 0.475 548 S N 0.488 116.298 115.700 0.184 0.000 2.365 548 S HA -0.228 4.511 4.470 0.448 0.000 0.225 548 S C 1.909 176.494 174.600 -0.026 0.000 1.039 548 S CA 1.826 60.090 58.200 0.106 0.000 1.033 548 S CB -0.918 62.476 63.200 0.324 0.000 0.887 548 S HN 0.377 nan 8.310 nan 0.000 0.447 549 F N 1.232 121.170 119.950 -0.020 0.000 2.234 549 F HA 0.055 4.851 4.527 0.448 0.000 0.299 549 F C 2.109 177.865 175.800 -0.074 0.000 1.087 549 F CA 0.502 58.509 58.000 0.011 0.000 1.340 549 F CB -0.341 38.731 39.000 0.120 0.000 1.031 549 F HN 0.156 nan 8.300 nan 0.000 0.500 550 L N -0.162 121.093 121.223 0.053 0.000 2.201 550 L HA -0.166 4.443 4.340 0.448 0.000 0.212 550 L C 1.912 178.726 176.870 -0.094 0.000 1.105 550 L CA 1.415 56.240 54.840 -0.025 0.000 0.775 550 L CB -0.444 41.590 42.059 -0.043 0.000 0.913 550 L HN 0.226 nan 8.230 nan 0.000 0.440 551 L N -1.240 119.791 121.223 -0.321 0.000 2.240 551 L HA -0.145 4.464 4.340 0.448 0.000 0.211 551 L C 2.365 179.044 176.870 -0.319 0.000 1.106 551 L CA 0.789 55.351 54.840 -0.462 0.000 0.793 551 L CB -0.132 41.458 42.059 -0.783 0.000 0.927 551 L HN 0.288 nan 8.230 nan 0.000 0.446 552 M N -2.237 117.141 119.600 -0.370 0.000 2.534 552 M HA 0.009 4.758 4.480 0.448 0.000 0.263 552 M C 0.494 176.496 176.300 -0.497 0.000 1.152 552 M CA 1.113 56.083 55.300 -0.551 0.000 1.145 552 M CB 0.400 32.344 32.600 -1.093 0.000 1.333 552 M HN 0.053 nan 8.290 nan 0.000 0.477 553 Y N -0.998 119.327 120.300 0.042 0.000 2.715 553 Y HA 0.249 5.068 4.550 0.449 0.000 0.255 553 Y C 1.754 177.336 175.900 -0.529 0.000 1.139 553 Y CA -0.588 57.344 58.100 -0.279 0.000 1.151 553 Y CB -0.036 38.236 38.460 -0.315 0.000 1.201 553 Y HN 0.167 nan 8.280 nan 0.000 0.556 554 S N -0.136 115.535 115.700 -0.047 0.000 2.584 554 S HA -0.151 4.588 4.470 0.448 0.000 0.240 554 S C 1.314 175.881 174.600 -0.055 0.000 0.975 554 S CA 0.577 58.757 58.200 -0.033 0.000 0.949 554 S CB -0.690 62.590 63.200 0.133 0.000 0.761 554 S HN 0.757 nan 8.310 nan 0.000 0.536 555 W N 1.172 122.536 121.300 0.106 0.000 2.905 555 W HA 0.339 5.268 4.660 0.448 0.000 0.251 555 W C 0.230 176.769 176.519 0.033 0.000 1.305 555 W CA -0.399 56.967 57.345 0.036 0.000 1.465 555 W CB -0.663 28.824 29.460 0.044 0.000 1.122 555 W HN 0.252 nan 8.180 nan 0.000 0.659 556 N N 3.494 121.746 118.700 -0.748 0.000 2.546 556 N HA 0.125 5.134 4.740 0.448 0.000 0.238 556 N C -1.439 173.889 175.510 -0.304 0.000 0.984 556 N CA -2.063 50.603 53.050 -0.641 0.000 0.935 556 N CB 1.556 39.320 38.487 -1.206 0.000 1.122 556 N HN -0.224 nan 8.380 nan 0.000 0.510 557 P HA -0.173 nan 4.420 nan 0.000 0.218 557 P C 1.602 178.870 177.300 -0.055 0.000 1.146 557 P CA 0.707 63.768 63.100 -0.065 0.000 0.813 557 P CB 0.908 32.603 31.700 -0.009 0.000 0.778 558 L N -0.494 120.694 121.223 -0.058 0.000 1.993 558 L HA -0.104 4.505 4.340 0.448 0.000 0.206 558 L C 2.615 179.438 176.870 -0.077 0.000 1.074 558 L CA 1.425 56.249 54.840 -0.026 0.000 0.746 558 L CB -0.734 41.319 42.059 -0.011 0.000 0.896 558 L HN -0.164 nan 8.230 nan 0.000 0.435 559 V N 0.159 119.988 119.914 -0.142 0.000 2.255 559 V HA -0.349 4.040 4.120 0.448 0.000 0.247 559 V C 2.663 178.703 176.094 -0.090 0.000 1.051 559 V CA 2.245 64.470 62.300 -0.125 0.000 1.018 559 V CB -0.811 30.917 31.823 -0.158 0.000 0.641 559 V HN 0.518 nan 8.190 nan 0.000 0.445 560 R N -0.123 120.305 120.500 -0.120 0.000 2.113 560 R HA -0.254 4.355 4.340 0.448 0.000 0.244 560 R C 2.501 178.757 176.300 -0.074 0.000 1.142 560 R CA 2.221 58.264 56.100 -0.095 0.000 0.953 560 R CB -0.214 30.022 30.300 -0.108 0.000 0.860 560 R HN 0.442 nan 8.270 nan 0.000 0.438 561 R N -0.080 120.383 120.500 -0.062 0.000 2.073 561 R HA 0.005 4.614 4.340 0.448 0.000 0.229 561 R C 2.400 178.674 176.300 -0.043 0.000 1.120 561 R CA 1.581 57.654 56.100 -0.046 0.000 0.967 561 R CB -0.277 30.006 30.300 -0.027 0.000 0.862 561 R HN 0.280 nan 8.270 nan 0.000 0.436 562 I N 0.277 120.819 120.570 -0.047 0.000 2.151 562 I HA -0.419 4.020 4.170 0.448 0.000 0.243 562 I C 2.238 178.325 176.117 -0.051 0.000 1.080 562 I CA 1.223 62.492 61.300 -0.052 0.000 1.339 562 I CB -0.419 37.537 38.000 -0.074 0.000 1.039 562 I HN 0.316 nan 8.210 nan 0.000 0.409 563 C N 0.619 119.891 119.300 -0.046 0.000 2.429 563 C HA -0.143 4.586 4.460 0.448 0.000 0.277 563 C C 2.728 177.699 174.990 -0.032 0.000 1.262 563 C CA 0.551 59.554 59.018 -0.025 0.000 1.733 563 C CB -1.058 26.683 27.740 0.001 0.000 2.010 563 C HN 0.465 nan 8.230 nan 0.000 0.483 564 L N 0.171 121.362 121.223 -0.054 0.000 2.131 564 L HA -0.140 4.469 4.340 0.448 0.000 0.210 564 L C 2.512 179.346 176.870 -0.061 0.000 1.092 564 L CA 1.238 56.032 54.840 -0.076 0.000 0.759 564 L CB -0.566 41.440 42.059 -0.089 0.000 0.903 564 L HN 0.413 nan 8.230 nan 0.000 0.435 565 L N -1.072 120.125 121.223 -0.043 0.000 2.056 565 L HA -0.157 4.452 4.340 0.448 0.000 0.207 565 L C 2.496 179.347 176.870 -0.032 0.000 1.078 565 L CA 0.731 55.551 54.840 -0.033 0.000 0.749 565 L CB -0.469 41.575 42.059 -0.024 0.000 0.901 565 L HN 0.050 nan 8.230 nan 0.000 0.433 566 V N -0.075 119.823 119.914 -0.027 0.000 2.515 566 V HA -0.242 4.147 4.120 0.448 0.000 0.250 566 V C 2.124 178.218 176.094 -0.000 0.000 1.058 566 V CA 1.382 63.673 62.300 -0.014 0.000 1.064 566 V CB -0.321 31.493 31.823 -0.015 0.000 0.675 566 V HN 0.331 nan 8.190 nan 0.000 0.461 567 L N -0.694 120.525 121.223 -0.007 0.000 2.599 567 L HA 0.071 4.680 4.340 0.448 0.000 0.230 567 L C 2.214 179.055 176.870 -0.048 0.000 1.141 567 L CA 0.703 55.541 54.840 -0.003 0.000 0.877 567 L CB -0.137 41.907 42.059 -0.024 0.000 1.009 567 L HN 0.159 nan 8.230 nan 0.000 0.447 568 S N -1.200 114.462 115.700 -0.064 0.000 2.478 568 S HA 0.076 4.815 4.470 0.448 0.000 0.222 568 S C 0.677 175.219 174.600 -0.098 0.000 1.008 568 S CA 0.151 58.291 58.200 -0.100 0.000 0.928 568 S CB 0.060 63.203 63.200 -0.096 0.000 0.781 568 S HN 0.415 nan 8.310 nan 0.000 0.518 569 Q N 1.126 120.893 119.800 -0.057 0.000 2.267 569 Q HA 0.372 4.981 4.340 0.448 0.000 0.255 569 Q C -0.578 175.405 176.000 -0.028 0.000 0.923 569 Q CA -0.130 55.645 55.803 -0.047 0.000 0.925 569 Q CB 0.550 29.273 28.738 -0.026 0.000 1.195 569 Q HN 0.185 nan 8.270 nan 0.000 0.417 570 Q N 1.184 120.961 119.800 -0.039 0.000 2.459 570 Q HA -0.157 4.451 4.340 0.448 0.000 0.314 570 Q C -1.779 174.216 176.000 -0.008 0.000 1.432 570 Q CA 0.028 55.818 55.803 -0.022 0.000 0.823 570 Q CB -0.728 28.008 28.738 -0.004 0.000 1.124 570 Q HN 0.619 nan 8.270 nan 0.000 0.392 571 P HA -0.247 nan 4.420 nan 0.000 0.220 571 P C 1.049 178.362 177.300 0.020 0.000 1.144 571 P CA 1.647 64.748 63.100 0.001 0.000 0.800 571 P CB 0.037 31.719 31.700 -0.030 0.000 0.772 572 E N 0.078 120.281 120.200 0.004 0.000 2.418 572 E HA -0.049 4.570 4.350 0.448 0.000 0.197 572 E C -0.082 176.525 176.600 0.012 0.000 1.026 572 E CA 0.648 57.053 56.400 0.008 0.000 0.862 572 E CB -1.114 28.586 29.700 -0.001 0.000 0.799 572 E HN 0.124 nan 8.360 nan 0.000 0.518 573 T N 2.250 116.814 114.554 0.015 0.000 2.762 573 T HA 0.195 4.814 4.350 0.448 0.000 0.303 573 T C -0.289 174.416 174.700 0.008 0.000 0.977 573 T CA -0.261 61.846 62.100 0.012 0.000 0.961 573 T CB 1.116 69.993 68.868 0.015 0.000 0.944 573 T HN -0.044 nan 8.240 nan 0.000 0.481 574 T N 7.230 121.776 114.554 -0.014 0.000 2.928 574 T HA 0.176 4.795 4.350 0.448 0.000 0.305 574 T C -1.629 173.006 174.700 -0.107 0.000 1.035 574 T CA -0.810 61.254 62.100 -0.060 0.000 1.145 574 T CB 0.318 69.155 68.868 -0.051 0.000 0.963 574 T HN 0.425 nan 8.240 nan 0.000 0.545 575 P HA 0.061 nan 4.420 nan 0.000 0.270 575 P C 0.014 177.222 177.300 -0.153 0.000 1.227 575 P CA -0.345 62.626 63.100 -0.214 0.000 0.788 575 P CB 0.547 31.941 31.700 -0.511 0.000 0.926 576 S N -0.518 115.134 115.700 -0.081 0.000 2.624 576 S HA 0.219 4.958 4.470 0.448 0.000 0.263 576 S C 0.738 175.184 174.600 -0.256 0.000 1.287 576 S CA -0.089 58.062 58.200 -0.082 0.000 0.990 576 S CB -0.273 62.996 63.200 0.115 0.000 0.950 576 S HN 0.486 nan 8.310 nan 0.000 0.561 577 T N 2.416 116.769 114.554 -0.335 0.000 3.132 577 T HA 0.222 4.841 4.350 0.448 0.000 0.274 577 T C 0.818 175.412 174.700 -0.176 0.000 1.011 577 T CA -0.161 61.585 62.100 -0.590 0.000 0.899 577 T CB 0.137 68.555 68.868 -0.749 0.000 1.089 577 T HN 0.573 nan 8.240 nan 0.000 0.543 578 Q N 0.946 120.744 119.800 -0.003 0.000 2.403 578 Q HA 0.206 4.815 4.340 0.448 0.000 0.203 578 Q C 1.180 177.286 176.000 0.177 0.000 0.932 578 Q CA 0.401 56.263 55.803 0.099 0.000 0.945 578 Q CB 0.468 29.293 28.738 0.145 0.000 1.045 578 Q HN 0.260 nan 8.270 nan 0.000 0.511 579 T N -2.066 112.588 114.554 0.167 0.000 2.844 579 T HA 0.157 4.776 4.350 0.448 0.000 0.274 579 T C 1.253 176.023 174.700 0.117 0.000 0.991 579 T CA -0.333 61.868 62.100 0.169 0.000 0.983 579 T CB 1.206 70.162 68.868 0.147 0.000 1.310 579 T HN -0.008 nan 8.240 nan 0.000 0.596 580 T N 0.469 115.073 114.554 0.084 0.000 2.635 580 T HA -0.000 4.619 4.350 0.448 0.000 0.267 580 T C -0.151 174.397 174.700 -0.253 0.000 1.040 580 T CA 1.709 63.748 62.100 -0.102 0.000 1.156 580 T CB -0.365 68.461 68.868 -0.070 0.000 0.863 580 T HN 0.552 nan 8.240 nan 0.000 0.430 581 Y N -0.334 120.120 120.300 0.256 0.000 2.605 581 Y HA 0.580 5.401 4.550 0.451 0.000 0.343 581 Y C -0.652 175.573 175.900 0.542 0.000 1.036 581 Y CA -1.918 56.399 58.100 0.362 0.000 1.065 581 Y CB 1.727 40.378 38.460 0.318 0.000 1.288 581 Y HN 0.287 nan 8.280 nan 0.000 0.481 582 Y N -0.785 119.827 120.300 0.520 0.000 2.656 582 Y HA 0.672 5.491 4.550 0.447 0.000 0.334 582 Y C -1.834 174.080 175.900 0.023 0.000 1.179 582 Y CA -2.140 56.096 58.100 0.226 0.000 1.050 582 Y CB 0.872 39.343 38.460 0.019 0.000 1.308 582 Y HN 0.582 nan 8.280 nan 0.000 0.456 583 Y N 0.219 120.235 120.300 -0.473 0.000 2.654 583 Y HA 0.848 5.668 4.550 0.450 0.000 0.327 583 Y C -1.041 174.717 175.900 -0.238 0.000 1.122 583 Y CA -1.726 56.024 58.100 -0.582 0.000 1.227 583 Y CB 1.629 39.528 38.460 -0.934 0.000 1.370 583 Y HN 0.690 nan 8.280 nan 0.000 0.528 584 K N 0.945 121.380 120.400 0.059 0.000 2.613 584 K HA 0.557 5.146 4.320 0.448 0.000 0.248 584 K C -0.017 176.728 176.600 0.243 0.000 0.959 584 K CA 0.344 56.701 56.287 0.116 0.000 0.855 584 K CB 1.128 33.687 32.500 0.099 0.000 1.143 584 K HN 1.212 nan 8.250 nan 0.000 0.437 585 G N 2.781 111.723 108.800 0.236 0.000 2.578 585 G HA2 -0.244 3.985 3.960 0.448 0.000 0.232 585 G HA3 -0.244 3.985 3.960 0.448 0.000 0.232 585 G C -1.138 173.888 174.900 0.211 0.000 1.176 585 G CA -0.125 45.100 45.100 0.208 0.000 0.968 585 G HN 0.635 nan 8.290 nan 0.000 0.583 586 D N 2.046 122.507 120.400 0.101 0.000 2.348 586 D HA 0.483 5.392 4.640 0.448 0.000 0.253 586 D C -0.812 175.389 176.300 -0.165 0.000 1.161 586 D CA -1.539 52.473 54.000 0.020 0.000 0.876 586 D CB 1.494 42.333 40.800 0.065 0.000 1.160 586 D HN -0.019 nan 8.370 nan 0.000 0.459 587 P HA -0.108 nan 4.420 nan 0.000 0.214 587 P C 1.590 178.762 177.300 -0.215 0.000 1.163 587 P CA 0.642 63.263 63.100 -0.799 0.000 0.883 587 P CB 0.282 31.462 31.700 -0.867 0.000 0.788 588 I N -0.804 119.691 120.570 -0.125 0.000 2.454 588 I HA -0.101 4.338 4.170 0.448 0.000 0.254 588 I C 2.300 178.458 176.117 0.068 0.000 1.156 588 I CA 1.774 63.062 61.300 -0.019 0.000 1.433 588 I CB -2.121 35.871 38.000 -0.014 0.000 1.082 588 I HN 0.025 nan 8.210 nan 0.000 0.432 589 G N 0.722 109.541 108.800 0.031 0.000 2.403 589 G HA2 -0.109 4.120 3.960 0.448 0.000 0.216 589 G HA3 -0.109 4.120 3.960 0.448 0.000 0.216 589 G C 1.858 176.739 174.900 -0.032 0.000 1.154 589 G CA 0.757 45.853 45.100 -0.006 0.000 0.784 589 G HN 0.463 nan 8.290 nan 0.000 0.538 590 A N -0.051 122.761 122.820 -0.014 0.000 1.972 590 A HA -0.031 4.558 4.320 0.448 0.000 0.219 590 A C 2.126 179.799 177.584 0.147 0.000 1.169 590 A CA 1.610 53.672 52.037 0.043 0.000 0.635 590 A CB -0.608 18.407 19.000 0.026 0.000 0.810 590 A HN 0.499 nan 8.150 nan 0.000 0.446 591 Y N 0.345 120.676 120.300 0.052 0.000 2.114 591 Y HA -0.186 4.633 4.550 0.448 0.000 0.284 591 Y C 2.340 178.164 175.900 -0.128 0.000 1.143 591 Y CA 2.249 60.315 58.100 -0.058 0.000 1.135 591 Y CB -0.050 38.382 38.460 -0.048 0.000 0.980 591 Y HN 0.129 nan 8.280 nan 0.000 0.499 592 K N 0.927 121.409 120.400 0.136 0.000 2.211 592 K HA -0.231 4.358 4.320 0.448 0.000 0.204 592 K C 1.538 178.062 176.600 -0.126 0.000 1.047 592 K CA 1.820 58.107 56.287 0.000 0.000 0.935 592 K CB -0.696 31.818 32.500 0.024 0.000 0.728 592 K HN 0.568 nan 8.250 nan 0.000 0.452 593 D N -0.555 119.771 120.400 -0.122 0.000 2.097 593 D HA -0.140 4.769 4.640 0.448 0.000 0.195 593 D C 1.706 177.920 176.300 -0.142 0.000 0.989 593 D CA 1.874 55.795 54.000 -0.131 0.000 0.827 593 D CB 0.312 41.038 40.800 -0.123 0.000 0.966 593 D HN 0.080 nan 8.370 nan 0.000 0.456 594 V N -1.911 117.860 119.914 -0.239 0.000 3.431 594 V HA 0.149 4.538 4.120 0.448 0.000 0.253 594 V C 1.843 177.677 176.094 -0.433 0.000 1.184 594 V CA 0.121 62.241 62.300 -0.300 0.000 1.104 594 V CB -0.053 31.491 31.823 -0.465 0.000 0.799 594 V HN 0.113 nan 8.190 nan 0.000 0.462 595 I N 1.783 122.000 120.570 -0.588 0.000 2.703 595 I HA 0.372 4.811 4.170 0.448 0.000 0.259 595 I C 2.176 178.055 176.117 -0.397 0.000 1.151 595 I CA 1.564 62.515 61.300 -0.583 0.000 1.470 595 I CB -0.912 36.519 38.000 -0.949 0.000 1.112 595 I HN 0.589 nan 8.210 nan 0.000 0.437 596 G N 1.311 109.910 108.800 -0.335 0.000 2.176 596 G HA2 -0.226 4.003 3.960 0.448 0.000 0.232 596 G HA3 -0.226 4.003 3.960 0.448 0.000 0.232 596 G C 0.362 175.075 174.900 -0.311 0.000 0.986 596 G CA -0.040 44.895 45.100 -0.274 0.000 0.643 596 G HN 0.396 nan 8.290 nan 0.000 0.522 597 K N -0.481 119.720 120.400 -0.332 0.000 2.556 597 K HA 0.378 4.967 4.320 0.448 0.000 0.274 597 K C -0.798 175.826 176.600 0.039 0.000 0.966 597 K CA -0.939 55.195 56.287 -0.256 0.000 0.865 597 K CB 1.250 33.374 32.500 -0.625 0.000 1.444 597 K HN 0.137 nan 8.250 nan 0.000 0.433 598 N N 1.342 120.098 118.700 0.094 0.000 2.525 598 N HA 0.093 5.102 4.740 0.448 0.000 0.271 598 N C 0.958 176.589 175.510 0.203 0.000 1.194 598 N CA -0.197 52.951 53.050 0.163 0.000 0.964 598 N CB 0.688 39.230 38.487 0.091 0.000 1.126 598 N HN 0.440 nan 8.380 nan 0.000 0.452 599 L N 1.353 122.546 121.223 -0.049 0.000 2.129 599 L HA -0.241 4.368 4.340 0.448 0.000 0.212 599 L C 1.865 178.737 176.870 0.003 0.000 1.087 599 L CA 1.353 56.041 54.840 -0.253 0.000 0.757 599 L CB -0.288 41.406 42.059 -0.609 0.000 0.896 599 L HN 0.854 nan 8.230 nan 0.000 0.434 600 C N -1.986 117.336 119.300 0.035 0.000 2.472 600 C HA -0.036 4.693 4.460 0.448 0.000 0.278 600 C C 1.948 177.007 174.990 0.115 0.000 1.447 600 C CA -0.043 59.013 59.018 0.063 0.000 1.773 600 C CB -1.157 26.622 27.740 0.063 0.000 1.793 600 C HN 0.493 nan 8.230 nan 0.000 0.544 601 E N 0.413 120.734 120.200 0.201 0.000 2.478 601 E HA 0.153 4.772 4.350 0.448 0.000 0.194 601 E C 0.687 177.504 176.600 0.362 0.000 1.045 601 E CA -0.193 56.370 56.400 0.272 0.000 0.868 601 E CB 0.045 29.925 29.700 0.299 0.000 0.885 601 E HN 0.660 nan 8.360 nan 0.000 0.505 602 L N 2.924 124.324 121.223 0.295 0.000 2.454 602 L HA 0.063 4.672 4.340 0.448 0.000 0.284 602 L C 1.239 178.079 176.870 -0.051 0.000 1.139 602 L CA 0.143 54.982 54.840 -0.001 0.000 0.911 602 L CB 0.233 42.281 42.059 -0.018 0.000 1.262 602 L HN 0.045 nan 8.230 nan 0.000 0.453 603 K N 4.520 124.871 120.400 -0.081 0.000 2.334 603 K HA 0.146 4.735 4.320 0.448 0.000 0.195 603 K C 0.656 177.219 176.600 -0.061 0.000 1.045 603 K CA -0.188 56.073 56.287 -0.044 0.000 1.004 603 K CB 0.624 33.120 32.500 -0.006 0.000 0.837 603 K HN 0.476 nan 8.250 nan 0.000 0.510 604 R N 0.237 120.665 120.500 -0.120 0.000 2.643 604 R HA 0.255 4.864 4.340 0.448 0.000 0.269 604 R C -1.603 174.639 176.300 -0.097 0.000 1.037 604 R CA -0.462 55.593 56.100 -0.075 0.000 0.894 604 R CB 2.464 32.734 30.300 -0.050 0.000 1.238 604 R HN 0.016 nan 8.270 nan 0.000 0.459 605 T N 0.928 115.473 114.554 -0.015 0.000 2.863 605 T HA 0.407 5.026 4.350 0.448 0.000 0.285 605 T C -0.263 174.450 174.700 0.021 0.000 1.009 605 T CA -0.358 61.747 62.100 0.008 0.000 0.989 605 T CB 1.626 70.564 68.868 0.117 0.000 1.004 605 T HN 0.735 nan 8.240 nan 0.000 0.455 606 G N 1.646 110.431 108.800 -0.024 0.000 2.109 606 G HA2 0.042 4.270 3.960 0.448 0.000 0.249 606 G HA3 0.042 4.270 3.960 0.448 0.000 0.249 606 G C 0.641 175.570 174.900 0.049 0.000 1.126 606 G CA 0.021 45.120 45.100 -0.001 0.000 0.923 606 G HN 0.713 nan 8.290 nan 0.000 0.439 607 F N 2.032 121.970 119.950 -0.020 0.000 2.051 607 F HA -0.104 4.692 4.527 0.448 0.000 0.296 607 F C 2.459 178.260 175.800 0.001 0.000 1.122 607 F CA 2.090 60.089 58.000 -0.002 0.000 1.201 607 F CB 0.209 39.206 39.000 -0.005 0.000 0.978 607 F HN 0.455 nan 8.300 nan 0.000 0.472 608 E N 0.322 120.569 120.200 0.079 0.000 2.106 608 E HA -0.203 4.416 4.350 0.448 0.000 0.192 608 E C 2.088 178.626 176.600 -0.104 0.000 0.984 608 E CA 1.012 57.399 56.400 -0.021 0.000 0.806 608 E CB -0.368 29.376 29.700 0.074 0.000 0.750 608 E HN 0.272 nan 8.360 nan 0.000 0.458 609 K N 1.331 121.676 120.400 -0.091 0.000 1.984 609 K HA -0.062 4.527 4.320 0.448 0.000 0.209 609 K C 2.125 178.649 176.600 -0.127 0.000 1.046 609 K CA 0.627 56.839 56.287 -0.124 0.000 0.934 609 K CB -0.665 31.747 32.500 -0.146 0.000 0.717 609 K HN 0.070 nan 8.250 nan 0.000 0.438 610 L N 0.421 121.583 121.223 -0.100 0.000 2.013 610 L HA -0.216 4.393 4.340 0.448 0.000 0.212 610 L C 2.084 178.914 176.870 -0.067 0.000 1.073 610 L CA 2.412 57.249 54.840 -0.004 0.000 0.753 610 L CB -1.151 40.927 42.059 0.033 0.000 0.890 610 L HN 0.341 nan 8.230 nan 0.000 0.432 611 A N 0.354 123.048 122.820 -0.210 0.000 1.865 611 A HA -0.276 4.313 4.320 0.448 0.000 0.217 611 A C 1.959 179.478 177.584 -0.108 0.000 1.191 611 A CA 2.004 53.916 52.037 -0.207 0.000 0.623 611 A CB -0.805 17.968 19.000 -0.378 0.000 0.826 611 A HN 0.623 nan 8.150 nan 0.000 0.444 612 N N 0.220 118.856 118.700 -0.107 0.000 2.069 612 N HA -0.126 4.883 4.740 0.448 0.000 0.191 612 N C 1.611 177.076 175.510 -0.074 0.000 1.031 612 N CA 1.585 54.587 53.050 -0.079 0.000 0.852 612 N CB -0.554 37.884 38.487 -0.082 0.000 1.018 612 N HN 0.519 nan 8.380 nan 0.000 0.423 613 L N 0.557 121.738 121.223 -0.070 0.000 2.450 613 L HA -0.071 4.538 4.340 0.448 0.000 0.224 613 L C 1.074 177.898 176.870 -0.076 0.000 1.149 613 L CA 0.754 55.562 54.840 -0.053 0.000 0.816 613 L CB -0.343 41.720 42.059 0.008 0.000 0.932 613 L HN 0.215 nan 8.230 nan 0.000 0.449 614 N N -0.995 117.653 118.700 -0.087 0.000 2.205 614 N HA 0.002 5.011 4.740 0.448 0.000 0.201 614 N C 1.560 176.992 175.510 -0.130 0.000 1.128 614 N CA -0.275 52.676 53.050 -0.164 0.000 0.867 614 N CB 0.468 38.904 38.487 -0.085 0.000 0.996 614 N HN 0.106 nan 8.380 nan 0.000 0.503 615 L N 1.442 122.621 121.223 -0.073 0.000 2.046 615 L HA -0.154 4.455 4.340 0.448 0.000 0.208 615 L C 2.359 179.194 176.870 -0.057 0.000 1.077 615 L CA 1.739 56.559 54.840 -0.033 0.000 0.747 615 L CB -0.762 41.278 42.059 -0.031 0.000 0.896 615 L HN 0.130 nan 8.230 nan 0.000 0.432 616 S N -1.134 114.505 115.700 -0.102 0.000 2.419 616 S HA -0.211 4.528 4.470 0.448 0.000 0.235 616 S C 2.024 176.530 174.600 -0.156 0.000 1.019 616 S CA 1.516 59.650 58.200 -0.109 0.000 0.982 616 S CB -1.016 62.114 63.200 -0.115 0.000 0.789 616 S HN 0.521 nan 8.310 nan 0.000 0.490 617 L N 0.957 121.999 121.223 -0.302 0.000 2.201 617 L HA -0.002 4.607 4.340 0.448 0.000 0.212 617 L C 2.539 179.291 176.870 -0.198 0.000 1.105 617 L CA 1.117 55.642 54.840 -0.526 0.000 0.775 617 L CB -0.507 40.731 42.059 -1.368 0.000 0.913 617 L HN 0.364 nan 8.230 nan 0.000 0.440 618 S N -1.590 114.148 115.700 0.064 0.000 2.456 618 S HA -0.048 4.691 4.470 0.448 0.000 0.224 618 S C 1.909 176.579 174.600 0.117 0.000 1.035 618 S CA 0.789 59.150 58.200 0.268 0.000 0.940 618 S CB 0.232 63.616 63.200 0.308 0.000 0.799 618 S HN 0.342 nan 8.310 nan 0.000 0.508 619 T N 2.309 116.892 114.554 0.048 0.000 3.023 619 T HA 0.218 4.837 4.350 0.448 0.000 0.266 619 T C 1.120 175.831 174.700 0.018 0.000 1.093 619 T CA 0.712 62.828 62.100 0.026 0.000 1.129 619 T CB -0.099 68.772 68.868 0.005 0.000 0.899 619 T HN 0.263 nan 8.240 nan 0.000 0.491 620 L N 0.277 121.504 121.223 0.007 0.000 2.857 620 L HA 0.375 4.984 4.340 0.448 0.000 0.249 620 L C 1.336 178.221 176.870 0.026 0.000 1.172 620 L CA -0.413 54.429 54.840 0.003 0.000 0.980 620 L CB -0.185 41.860 42.059 -0.024 0.000 1.299 620 L HN 0.270 nan 8.230 nan 0.000 0.535 621 G N 1.374 110.211 108.800 0.062 0.000 2.386 621 G HA2 -0.278 3.950 3.960 0.448 0.000 0.295 621 G HA3 -0.278 3.950 3.960 0.448 0.000 0.295 621 G C 0.572 175.530 174.900 0.097 0.000 0.979 621 G CA 0.501 45.662 45.100 0.102 0.000 1.193 621 G HN 0.459 nan 8.290 nan 0.000 0.508 622 I N -1.438 119.185 120.570 0.089 0.000 3.462 622 I HA 0.218 4.657 4.170 0.448 0.000 0.290 622 I C 1.206 177.419 176.117 0.159 0.000 1.236 622 I CA 0.223 61.547 61.300 0.040 0.000 1.418 622 I CB 0.007 37.951 38.000 -0.094 0.000 1.102 622 I HN 0.572 nan 8.210 nan 0.000 0.441 623 W N 0.245 121.533 121.300 -0.020 0.000 2.962 623 W HA 0.671 5.600 4.660 0.449 0.000 0.341 623 W C -0.624 175.889 176.519 -0.010 0.000 1.155 623 W CA -2.376 54.959 57.345 -0.017 0.000 1.165 623 W CB -0.215 29.230 29.460 -0.025 0.000 1.435 623 W HN -0.388 nan 8.180 nan 0.000 0.546 624 S N 1.289 117.044 115.700 0.092 0.000 2.646 624 S HA 0.234 4.973 4.470 0.448 0.000 0.276 624 S C 0.794 175.227 174.600 -0.279 0.000 1.222 624 S CA -0.770 57.398 58.200 -0.053 0.000 1.014 624 S CB 1.191 64.400 63.200 0.014 0.000 0.991 624 S HN 0.424 nan 8.310 nan 0.000 0.533 625 K N 0.756 120.995 120.400 -0.268 0.000 2.665 625 K HA -0.013 4.576 4.320 0.448 0.000 0.196 625 K C 0.218 176.529 176.600 -0.481 0.000 1.021 625 K CA 0.606 56.646 56.287 -0.412 0.000 1.066 625 K CB -0.114 32.189 32.500 -0.328 0.000 0.849 625 K HN 0.473 nan 8.250 nan 0.000 0.500 626 H N -1.812 117.126 119.070 -0.220 0.000 3.680 626 H HA 0.089 4.914 4.556 0.448 0.000 0.260 626 H C 1.264 176.513 175.328 -0.131 0.000 1.183 626 H CA 0.144 56.100 56.048 -0.153 0.000 1.159 626 H CB 0.853 30.559 29.762 -0.093 0.000 1.567 626 H HN 0.016 nan 8.280 nan 0.000 0.648 627 T N 0.312 114.841 114.554 -0.042 0.000 2.737 627 T HA -0.152 4.467 4.350 0.448 0.000 0.269 627 T C 2.118 176.829 174.700 0.018 0.000 1.040 627 T CA 1.942 64.053 62.100 0.018 0.000 1.142 627 T CB 0.074 69.009 68.868 0.112 0.000 0.861 627 T HN 0.230 nan 8.240 nan 0.000 0.456 628 S N 0.646 116.303 115.700 -0.072 0.000 2.356 628 S HA -0.073 4.666 4.470 0.448 0.000 0.223 628 S C 2.021 176.623 174.600 0.003 0.000 1.032 628 S CA 1.187 59.372 58.200 -0.025 0.000 1.005 628 S CB -0.188 62.948 63.200 -0.106 0.000 0.867 628 S HN 0.525 nan 8.310 nan 0.000 0.449 629 K N 1.273 121.681 120.400 0.014 0.000 2.031 629 K HA -0.057 4.532 4.320 0.448 0.000 0.205 629 K C 2.346 178.963 176.600 0.028 0.000 1.049 629 K CA 1.049 57.361 56.287 0.041 0.000 0.939 629 K CB -0.113 32.452 32.500 0.108 0.000 0.717 629 K HN 0.118 nan 8.250 nan 0.000 0.438 630 R N 0.906 121.423 120.500 0.028 0.000 2.094 630 R HA -0.157 4.452 4.340 0.448 0.000 0.239 630 R C 2.193 178.499 176.300 0.011 0.000 1.137 630 R CA 1.821 57.925 56.100 0.006 0.000 0.943 630 R CB -0.620 29.684 30.300 0.008 0.000 0.850 630 R HN 0.282 nan 8.270 nan 0.000 0.433 631 I N 0.887 121.470 120.570 0.022 0.000 2.248 631 I HA -0.259 4.180 4.170 0.448 0.000 0.248 631 I C 1.941 178.067 176.117 0.015 0.000 1.107 631 I CA 1.613 62.925 61.300 0.020 0.000 1.373 631 I CB -0.477 37.542 38.000 0.031 0.000 1.055 631 I HN 0.382 nan 8.210 nan 0.000 0.418 632 I N 0.689 121.268 120.570 0.016 0.000 2.193 632 I HA -0.337 4.102 4.170 0.448 0.000 0.240 632 I C 2.633 178.758 176.117 0.013 0.000 1.084 632 I CA 1.239 62.547 61.300 0.013 0.000 1.365 632 I CB -0.446 37.561 38.000 0.012 0.000 1.064 632 I HN 0.333 nan 8.210 nan 0.000 0.410 633 Q N 0.543 120.349 119.800 0.009 0.000 2.234 633 Q HA -0.233 4.376 4.340 0.448 0.000 0.206 633 Q C 1.204 177.212 176.000 0.014 0.000 0.980 633 Q CA 1.615 57.422 55.803 0.008 0.000 0.869 633 Q CB -0.438 28.298 28.738 -0.003 0.000 0.912 633 Q HN 0.489 nan 8.270 nan 0.000 0.436 634 D N 0.782 121.190 120.400 0.014 0.000 2.144 634 D HA -0.086 4.823 4.640 0.448 0.000 0.200 634 D C 1.933 178.251 176.300 0.031 0.000 0.978 634 D CA 1.182 55.193 54.000 0.019 0.000 0.833 634 D CB -0.165 40.643 40.800 0.013 0.000 0.961 634 D HN 0.359 nan 8.370 nan 0.000 0.470 635 C N 0.440 119.757 119.300 0.028 0.000 2.476 635 C HA -0.052 4.677 4.460 0.448 0.000 0.278 635 C C 2.977 178.001 174.990 0.056 0.000 1.274 635 C CA 0.073 59.114 59.018 0.039 0.000 1.713 635 C CB -0.764 26.991 27.740 0.024 0.000 2.039 635 C HN 0.158 nan 8.230 nan 0.000 0.484 636 V N 0.867 120.806 119.914 0.041 0.000 2.392 636 V HA -0.234 4.155 4.120 0.448 0.000 0.249 636 V C 2.444 178.570 176.094 0.053 0.000 1.059 636 V CA 2.514 64.839 62.300 0.041 0.000 1.051 636 V CB -1.367 30.469 31.823 0.021 0.000 0.658 636 V HN 0.605 nan 8.190 nan 0.000 0.455 637 T N 0.330 114.915 114.554 0.051 0.000 2.746 637 T HA -0.120 4.499 4.350 0.448 0.000 0.267 637 T C 1.829 176.585 174.700 0.094 0.000 1.039 637 T CA 1.787 63.921 62.100 0.057 0.000 1.142 637 T CB -0.258 68.638 68.868 0.047 0.000 0.866 637 T HN 0.364 nan 8.240 nan 0.000 0.444 638 I N 0.846 121.491 120.570 0.125 0.000 2.252 638 I HA -0.067 4.372 4.170 0.448 0.000 0.245 638 I C 2.842 179.134 176.117 0.291 0.000 1.102 638 I CA 1.315 62.755 61.300 0.233 0.000 1.385 638 I CB -0.585 37.545 38.000 0.217 0.000 1.064 638 I HN 0.312 nan 8.210 nan 0.000 0.414 639 G N 1.460 110.365 108.800 0.175 0.000 2.511 639 G HA2 -0.193 4.036 3.960 0.448 0.000 0.217 639 G HA3 -0.193 4.036 3.960 0.448 0.000 0.217 639 G C 1.655 176.580 174.900 0.041 0.000 1.133 639 G CA 0.445 45.600 45.100 0.091 0.000 0.792 639 G HN 0.464 nan 8.290 nan 0.000 0.539 640 K N 0.431 120.872 120.400 0.069 0.000 2.152 640 K HA -0.045 4.544 4.320 0.448 0.000 0.206 640 K C 0.210 176.820 176.600 0.015 0.000 1.048 640 K CA 0.713 57.062 56.287 0.104 0.000 0.933 640 K CB -0.114 32.420 32.500 0.056 0.000 0.721 640 K HN 0.100 nan 8.250 nan 0.000 0.447 641 E N 2.385 122.500 120.200 -0.142 0.000 2.360 641 E HA 0.058 4.677 4.350 0.448 0.000 0.269 641 E C -0.121 176.069 176.600 -0.684 0.000 1.022 641 E CA 0.030 56.268 56.400 -0.270 0.000 0.887 641 E CB 0.718 30.347 29.700 -0.119 0.000 0.990 641 E HN 0.191 nan 8.360 nan 0.000 0.426 642 E N 0.676 120.510 120.200 -0.609 0.000 2.436 642 E HA 0.299 4.918 4.350 0.448 0.000 0.262 642 E C 0.600 176.619 176.600 -0.968 0.000 1.063 642 E CA 0.512 56.440 56.400 -0.787 0.000 0.944 642 E CB 0.849 30.292 29.700 -0.429 0.000 0.950 642 E HN 0.717 nan 8.360 nan 0.000 0.444 643 G N 1.967 110.255 108.800 -0.852 0.000 2.260 643 G HA2 -0.145 4.084 3.960 0.448 0.000 0.250 643 G HA3 -0.145 4.084 3.960 0.448 0.000 0.250 643 G C -0.893 173.782 174.900 -0.374 0.000 1.340 643 G CA -0.457 44.213 45.100 -0.716 0.000 1.056 643 G HN 0.447 nan 8.290 nan 0.000 0.471 644 N N 0.508 119.339 118.700 0.218 0.000 2.841 644 N HA 0.393 5.402 4.740 0.448 0.000 0.257 644 N C -0.779 175.324 175.510 0.989 0.000 1.396 644 N CA -0.431 52.858 53.050 0.400 0.000 0.823 644 N CB 0.219 38.805 38.487 0.165 0.000 1.162 644 N HN 0.516 nan 8.380 nan 0.000 0.503 645 W N 2.531 123.966 121.300 0.225 0.000 2.365 645 W HA 0.209 5.139 4.660 0.449 0.000 0.316 645 W C 1.034 177.597 176.519 0.073 0.000 1.164 645 W CA -1.092 56.347 57.345 0.156 0.000 1.204 645 W CB 1.126 30.620 29.460 0.057 0.000 1.213 645 W HN 0.251 nan 8.180 nan 0.000 0.539 646 L N 3.330 124.535 121.223 -0.029 0.000 2.129 646 L HA -0.251 4.358 4.340 0.448 0.000 0.212 646 L C 2.376 179.083 176.870 -0.273 0.000 1.087 646 L CA 1.710 56.233 54.840 -0.528 0.000 0.757 646 L CB -0.815 41.001 42.059 -0.405 0.000 0.896 646 L HN 0.515 nan 8.230 nan 0.000 0.434 647 V N -3.808 116.080 119.914 -0.043 0.000 3.141 647 V HA -0.074 4.315 4.120 0.448 0.000 0.265 647 V C 1.619 177.725 176.094 0.020 0.000 1.126 647 V CA 1.338 63.630 62.300 -0.014 0.000 1.141 647 V CB -0.957 30.891 31.823 0.041 0.000 0.743 647 V HN 0.449 nan 8.190 nan 0.000 0.492 648 N N 1.151 119.900 118.700 0.082 0.000 2.434 648 N HA 0.261 5.270 4.740 0.448 0.000 0.196 648 N C 1.532 177.102 175.510 0.100 0.000 1.183 648 N CA 1.003 54.122 53.050 0.115 0.000 0.849 648 N CB 0.681 39.281 38.487 0.188 0.000 0.992 648 N HN 0.664 nan 8.380 nan 0.000 0.460 649 A N -0.104 122.728 122.820 0.019 0.000 2.072 649 A HA -0.050 4.539 4.320 0.448 0.000 0.216 649 A C 0.936 178.502 177.584 -0.030 0.000 1.156 649 A CA 0.189 52.225 52.037 -0.001 0.000 0.701 649 A CB 0.053 18.977 19.000 -0.127 0.000 0.816 649 A HN 0.102 nan 8.150 nan 0.000 0.458 650 D N 0.294 120.671 120.400 -0.039 0.000 2.338 650 D HA 0.045 4.954 4.640 0.448 0.000 0.255 650 D C 1.189 177.487 176.300 -0.004 0.000 1.237 650 D CA -0.169 53.809 54.000 -0.036 0.000 0.883 650 D CB 0.410 41.187 40.800 -0.037 0.000 1.087 650 D HN 0.297 nan 8.370 nan 0.000 0.485 651 R N 3.152 123.654 120.500 0.004 0.000 2.140 651 R HA -0.241 4.368 4.340 0.448 0.000 0.250 651 R C 1.890 178.197 176.300 0.011 0.000 1.150 651 R CA 1.420 57.530 56.100 0.017 0.000 0.966 651 R CB -0.143 30.171 30.300 0.023 0.000 0.869 651 R HN 0.500 nan 8.270 nan 0.000 0.445 652 L N 0.724 121.950 121.223 0.005 0.000 1.988 652 L HA -0.133 4.476 4.340 0.448 0.000 0.207 652 L C 2.048 178.920 176.870 0.003 0.000 1.071 652 L CA 1.659 56.501 54.840 0.004 0.000 0.744 652 L CB -0.646 41.415 42.059 0.004 0.000 0.893 652 L HN 0.131 nan 8.230 nan 0.000 0.433 653 I N -0.434 120.139 120.570 0.006 0.000 2.194 653 I HA -0.296 4.143 4.170 0.448 0.000 0.246 653 I C 2.844 178.969 176.117 0.014 0.000 1.093 653 I CA 1.802 63.109 61.300 0.012 0.000 1.355 653 I CB -0.892 37.120 38.000 0.019 0.000 1.046 653 I HN 0.414 nan 8.210 nan 0.000 0.413 654 S N -0.695 115.017 115.700 0.020 0.000 2.399 654 S HA -0.170 4.569 4.470 0.448 0.000 0.231 654 S C 2.265 176.858 174.600 -0.011 0.000 1.022 654 S CA 1.855 60.069 58.200 0.024 0.000 0.983 654 S CB -0.224 63.000 63.200 0.041 0.000 0.803 654 S HN 0.481 nan 8.310 nan 0.000 0.480 655 S N 0.788 116.482 115.700 -0.011 0.000 2.387 655 S HA 0.078 4.816 4.470 0.448 0.000 0.226 655 S C 1.784 176.358 174.600 -0.043 0.000 1.026 655 S CA 0.803 58.988 58.200 -0.025 0.000 0.972 655 S CB -0.159 63.033 63.200 -0.013 0.000 0.814 655 S HN 0.525 nan 8.310 nan 0.000 0.477 656 K N 0.717 121.097 120.400 -0.033 0.000 2.366 656 K HA -0.003 4.586 4.320 0.448 0.000 0.198 656 K C 2.112 178.674 176.600 -0.064 0.000 1.044 656 K CA 1.402 57.666 56.287 -0.038 0.000 0.973 656 K CB -0.006 32.483 32.500 -0.018 0.000 0.767 656 K HN 0.524 nan 8.250 nan 0.000 0.475 657 T N -4.295 110.210 114.554 -0.082 0.000 3.023 657 T HA 0.160 4.779 4.350 0.448 0.000 0.249 657 T C 1.514 175.966 174.700 -0.413 0.000 1.050 657 T CA 0.507 62.519 62.100 -0.146 0.000 1.088 657 T CB 0.516 69.379 68.868 -0.008 0.000 0.946 657 T HN 0.224 nan 8.240 nan 0.000 0.480 658 G N 1.672 110.297 108.800 -0.291 0.000 2.162 658 G HA2 -0.201 4.028 3.960 0.448 0.000 0.260 658 G HA3 -0.201 4.028 3.960 0.448 0.000 0.260 658 G C -0.131 174.550 174.900 -0.366 0.000 0.976 658 G CA 0.264 45.167 45.100 -0.328 0.000 0.655 658 G HN 0.765 nan 8.290 nan 0.000 0.533 659 H N -0.955 118.092 119.070 -0.038 0.000 2.529 659 H HA 0.732 5.557 4.556 0.448 0.000 0.348 659 H C -0.261 175.063 175.328 -0.007 0.000 1.152 659 H CA -0.759 55.261 56.048 -0.046 0.000 1.202 659 H CB 1.752 31.457 29.762 -0.094 0.000 1.562 659 H HN 0.112 nan 8.280 nan 0.000 0.515 660 L N 1.617 122.918 121.223 0.130 0.000 2.330 660 L HA 0.220 4.829 4.340 0.448 0.000 0.271 660 L C -0.620 176.327 176.870 0.128 0.000 1.013 660 L CA -0.798 54.105 54.840 0.105 0.000 0.816 660 L CB 1.079 43.172 42.059 0.056 0.000 1.287 660 L HN 0.514 nan 8.230 nan 0.000 0.435 661 Y N 2.800 123.127 120.300 0.045 0.000 2.504 661 Y HA 0.542 5.361 4.550 0.448 0.000 0.339 661 Y C -0.572 175.348 175.900 0.034 0.000 0.974 661 Y CA -0.801 57.331 58.100 0.053 0.000 1.232 661 Y CB 0.456 38.949 38.460 0.054 0.000 1.108 661 Y HN 0.379 nan 8.280 nan 0.000 0.509 662 I N 9.999 130.255 120.570 -0.523 0.000 2.363 662 I HA 0.234 4.673 4.170 0.448 0.000 0.292 662 I C -2.046 173.664 176.117 -0.678 0.000 1.075 662 I CA -2.492 58.565 61.300 -0.405 0.000 1.333 662 I CB 0.302 38.164 38.000 -0.230 0.000 1.415 662 I HN 0.468 nan 8.210 nan 0.000 0.502 663 P HA 0.329 nan 4.420 nan 0.000 0.281 663 P C -0.772 176.480 177.300 -0.081 0.000 1.264 663 P CA -0.459 62.548 63.100 -0.156 0.000 0.824 663 P CB 2.092 33.881 31.700 0.149 0.000 1.092 664 D N -0.167 120.224 120.400 -0.015 0.000 2.577 664 D HA 0.236 5.145 4.640 0.448 0.000 0.248 664 D C -0.223 176.072 176.300 -0.009 0.000 1.181 664 D CA -0.357 53.638 54.000 -0.010 0.000 1.083 664 D CB 0.646 41.453 40.800 0.011 0.000 1.198 664 D HN 0.225 nan 8.370 nan 0.000 0.626 665 K N -0.098 120.308 120.400 0.010 0.000 2.414 665 K HA 0.488 5.077 4.320 0.448 0.000 0.272 665 K C 0.212 176.793 176.600 -0.032 0.000 0.993 665 K CA -0.127 56.156 56.287 -0.007 0.000 0.964 665 K CB 0.490 33.069 32.500 0.130 0.000 0.925 665 K HN 0.516 nan 8.250 nan 0.000 0.487 666 G N 1.036 109.678 108.800 -0.263 0.000 2.717 666 G HA2 0.469 4.698 3.960 0.448 0.000 0.300 666 G HA3 0.469 4.698 3.960 0.448 0.000 0.300 666 G C -1.968 172.644 174.900 -0.480 0.000 1.424 666 G CA -0.727 44.271 45.100 -0.170 0.000 1.033 666 G HN 0.304 nan 8.290 nan 0.000 0.577 667 Y N -0.042 120.269 120.300 0.019 0.000 2.545 667 Y HA 0.733 5.552 4.550 0.449 0.000 0.348 667 Y C 0.498 176.393 175.900 -0.008 0.000 1.002 667 Y CA -0.919 57.186 58.100 0.008 0.000 1.039 667 Y CB 2.681 41.138 38.460 -0.004 0.000 1.271 667 Y HN 0.438 nan 8.280 nan 0.000 0.467 668 T N 3.987 118.639 114.554 0.164 0.000 2.771 668 T HA 0.698 5.317 4.350 0.448 0.000 0.281 668 T C -0.879 173.882 174.700 0.102 0.000 0.982 668 T CA -0.453 61.748 62.100 0.169 0.000 0.978 668 T CB 0.278 69.298 68.868 0.254 0.000 0.930 668 T HN 0.254 nan 8.240 nan 0.000 0.447 669 L N 2.359 123.530 121.223 -0.087 0.000 2.309 669 L HA 0.519 5.128 4.340 0.448 0.000 0.261 669 L C 0.206 177.086 176.870 0.017 0.000 1.021 669 L CA -0.886 53.871 54.840 -0.139 0.000 0.823 669 L CB 1.488 43.282 42.059 -0.442 0.000 1.366 669 L HN 0.476 nan 8.230 nan 0.000 0.423 670 Q N -0.307 119.574 119.800 0.134 0.000 2.230 670 Q HA 0.520 5.129 4.340 0.448 0.000 0.248 670 Q C 0.154 176.337 176.000 0.304 0.000 0.915 670 Q CA 0.013 55.889 55.803 0.122 0.000 0.900 670 Q CB 1.974 30.720 28.738 0.012 0.000 1.229 670 Q HN 0.875 nan 8.270 nan 0.000 0.439 671 G N 1.613 110.544 108.800 0.219 0.000 2.766 671 G HA2 0.119 4.348 3.960 0.448 0.000 0.206 671 G HA3 0.119 4.348 3.960 0.448 0.000 0.206 671 G C -0.336 174.600 174.900 0.059 0.000 2.072 671 G CA -0.260 44.943 45.100 0.170 0.000 0.798 671 G HN 0.575 nan 8.290 nan 0.000 0.703 672 K N 0.000 120.422 120.400 0.036 0.000 2.780 672 K HA 0.000 4.589 4.320 0.448 0.000 0.191 672 K CA 0.000 56.302 56.287 0.025 0.000 0.838 672 K CB 0.000 32.503 32.500 0.005 0.000 1.064 672 K HN 0.000 nan 8.250 nan 0.000 0.543